%%% -*-BibTeX-*-
%%% ====================================================================
%%% BibTeX-file{
%%% author = "Nelson H. F. Beebe",
%%% version = "1.00",
%%% date = "21 February 2008",
%%% time = "23:43:58 MST",
%%% filename = "iccmse2007.bib",
%%% address = "University of Utah
%%% Department of Mathematics, 110 LCB
%%% 155 S 1400 E RM 233
%%% Salt Lake City, UT 84112-0090
%%% USA",
%%% telephone = "+1 801 581 5254",
%%% FAX = "+1 801 581 4148",
%%% URL = "http://www.math.utah.edu/~beebe",
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%%% email = "beebe at math.utah.edu, beebe at acm.org,
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%%% chemistry; quantum chemistry; quantum
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%%% docstring = "This is a BibTeX bibliography for the
%%% International Conference on Computational
%%% Methods in Science and Engineering 2007
%%% (ICCMSE 2007), Corfu, Greece, 25--30
%%% September 2007. The conference was held at
%%% Hotel Marbella (Agios Ioannis Peristeron) on
%%% the east coast of Corfu, about 25km south of
%%% the town of Corfu.
%%%
%%% See the publisher's Web sites at
%%%
%%% http://proceedings.aip.org/proceedings/confproceed/963.jsp
%%% http://www.springer.com/physics/atoms/book/978-0-7354-0478-6
%%%
%%% The publication consists of three physical
%%% volumes numbered 1, 2A, and 2B, but 2A and 2B
%%% appear to share the same ISBN. Collectively
%%% they are considered a single volume, 963, of
%%% the AIP Conference Proceedings series.
%%%
%%% At version 1.00, the year coverage looked
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%%%
%%% 2007 ( 413)
%%%
%%% InProceedings: 411
%%% Proceedings: 2
%%%
%%% Total entries: 413
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%%% ====================================================================
%%% Acknowledgement abbreviations:
@String{ack-nhfb = "Nelson H. F. Beebe,
University of Utah,
Department of Mathematics, 110 LCB,
155 S 1400 E RM 233,
Salt Lake City, UT 84112-0090, USA,
Tel: +1 801 581 5254,
FAX: +1 801 581 4148,
e-mail: \path|beebe@math.utah.edu|,
\path|beebe@acm.org|,
\path|beebe@computer.org|,
URL: \path|http://www.math.utah.edu/~beebe/|"}
%%% ====================================================================
%%% Publishers and their addresses:
@String{pub-AIP = "American Institute of Physics"}
@String{pub-AIP:adr = "Woodbury, NY, USA"}
%%% ====================================================================
%%% Bibliography entries, sorted in order of initial publication pages
%%% and proceedings volume:
@InProceedings{Ohrn:2007:TDM,
author = "Yngve {\"O}hrn",
title = "Time-Dependent Molecular Reaction Dynamics",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "1--9",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000001000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Bera:2007:EEE,
author = "Partha P. Bera and Henry F. Schaefer III",
title = "Elementary Energetic Effects of Radiation Damage to
{DNA} and {RNA} Subunits",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "10--16",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000010000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Economou:2007:LHM,
author = "E. N. Economou",
title = "Left Handed Metamaterials: {A} New Frontier In
Optics?",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "17--22",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000017000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Murakami:2007:CEP,
author = "Kazuaki J. Murakami and Feng Long Gu and Mutsumi
Aoyagi and Takeshi Nanri and Koji Inoue",
title = "At the Cutting Edge of a Petascale Computing World: An
Overview of Petascale System Interconnect Project",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "23--38",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000023000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Averbukh:2007:IID,
author = "V. Averbukh and L. S. Cederbaum",
title = "Interatomic (Intermolecular) Decay Processes in
Clusters: Current Status and Outlook",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "39--46",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000039000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Fowler:2007:MCA,
author = "P. W. Fowler",
title = "Molecular Currents and Aromaticity",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "47--53",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000047000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Wang:2007:EMS,
author = "Feng Wang",
title = "Electron Momentum Spectroscopy and Its Applications to
Molecules of Biological Interest",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "54--81",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000054000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Dejardin:2007:NAD,
author = "Jean-Louis D{\'e}jardin",
title = "Nonlinear {ac} dielectric response in
polyelectrolytes",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "82--92",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000082000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Lucas:2007:PFP,
author = "K. Lucas",
title = "Prediction of Fluid Phase Behavior from Molecular
Models",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "93--103",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000093000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Zhu:2007:MNT,
author = "Rui Zhu and Dennis R. Salahub",
title = "Mechanisms of Nucleotidyl Transfer Catalyzed by the
Yeast {RNA} Polymerase {II}",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "104--110",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000104000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Datta:2007:ANS,
author = "Dipayan Datta and Debashis Mukherjee",
title = "Applications of a Novel Spin-free Combinatoric
Open-shell Coupled Cluster ({COS--CC}) Theory to
Single-reference Doublets",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "111--119",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000111000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Aoki:2007:EMA,
author = "Y. Aoki and F. L. Gu and Y. Orimoto and S. Suhai and
A. Imamura",
title = "Elongation Method Applied to Aperiodic Systems-Random
Polypeptides, High Spin Alignment, Polymer in Solvent,
and {DNA}",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "120--137",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000120000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Autschbach:2007:MRP,
author = "Jochen Autschbach",
title = "Molecular Response Properties Calculated and Analyzed
Using Static and Time-Dependent {DFT}",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "138--167",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000138000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Davies:2007:GAS,
author = "Teresa E. B. Davies and Mihail M. Popa and Cristian V.
Ciobanu",
title = "Genetic Algorithm for Structural Optimization of
Tubular Nanostructures",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "168--175",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000168000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Norman:2007:ART,
author = "Patrick Norman",
title = "Applications of Response Theory with Relaxation",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "176--206",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000176000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Calaminici:2007:TDP,
author = "Patrizia Calaminici and Andreas M. K{\"o}ster and
Gabriel U. Gamboa Martinez",
title = "Temperature Dependence of the Polarizability of Sodium
Clusters: An All-Electron Density Functional Study",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "207--211",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000207000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Scivetti:2007:NQE,
author = "Iv{\'a}n Scivetti and David Hughes and Nikitas
Gidopoulos and Alfredo Caro and Jorge Kohanoff",
title = "Nuclear Quantum Effects on the Structural Properties
of Solids",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "212--223",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000212000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Ning:2007:CMF,
author = "N. Ning and G. Dolgonos and W. Morscheidt and A.
Michau and K. Hassouni and H. Vach",
title = "Computational Methods for Fundamental Studies of
Plasma Processes",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "224--249",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000224000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Bancewicz:2007:IRH,
author = "Tadeusz Bancewicz",
title = "Induced {Rayleigh} and Hyper-{Rayleigh} Spectra Pair
Hyperpolarizability",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "250--256",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000250000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Koseki:2007:SOC,
author = "Shiro Koseki",
title = "Spin-Orbit Coupling Effects in Di-Hydrides of
Third-Row Transition Elements",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "257--267",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000257000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{McDouall:2007:APM,
author = "Joseph J. W. McDouall and David Robinson",
title = "Approximate Procedures in Multireference Perturbation
Theory: Successes and Limitations",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "268--291",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000268000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Sekino:2007:DAR,
author = "Hideo Sekino and Shinji Hamada",
title = "A Dynamically Adaptive Refinement in Muliresolution
Multiwavelet Basis for Dynamical Quantum
Wavefunctions",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "292--295",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000292000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Picaud:2007:MDM,
author = "S. Picaud and P. N. M. Hoang and L. B. Partay and G.
Hantal and P. Jedlovszky",
title = "Molecular Dynamics and {Monte Carlo} Simulations of
Organic Compounds Adsorbed on Ice Surfaces",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "296--307",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000296000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Loos:2007:FBL,
author = "Pierre-Fran{\c{c}}ois Loos and Xavier Assfeld",
title = "On the Frontier Bond Location in the {QM\slash MM}
Description of Peptides And Proteins",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "308--315",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000308000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Papadopoulos:2007:LNL,
author = "Manthos G. Papadopoulos and Aggelos Avramopoulos",
title = "The Linear and Non-Linear Optical Properties of Some
Noble Gas Compounds",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "316--328",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000316000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Carbonniere:2007:VAQ,
author = "Philippe Carbonniere and Alain Dargelos and Claude
Pouchan",
title = "Vibrational Analysis from Quantum Mechanic Molecular
Dynamics Trajectories",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "329--336",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000329000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Manohar:2007:CVR,
author = "Prashant Uday Manohar and Sourav Pal",
title = "Constrained Variational Response to {Fock}-Space
Multi-Reference Coupled-Cluster Theory: Formulation for
Excited-State Electronic Structure Calculations and
Some Pilot Applications",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "337--344",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000337000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Flores:2007:EFC,
author = "Patricio Flores and Soledad Guti{\'e}rrez-Oliva and
B{\'a}rbara Herrera and Eduardo Silva and Alejandro
Toro-Labb{\'e}",
title = "The Electronic Flux in Chemical Reactions. Insights on
the Mechanism of the {Maillard} Reaction",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "345--349",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000345000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Castet:2007:MSSa,
author = "Fr{\'e}d{\'e}ric Castet and Beno{\^\i}t Champagne and
Masayoshi Nakano and Hideaki Takahashi",
title = "Multi-scale simulations for materials and life
sciences",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "350--378",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000350000001&idtype=cvips",
acknowledgement = ack-nhfb,
remark = "This appears to be a duplicate of \cite{Castet:2007:MSSb}.",
}
@InProceedings{Rizzo:2007:RPC,
author = "Antonio Rizzo",
title = "Recent Progress in the Computation of Nonlinear
Optical Properties of Chiral Systems",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "379--388",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000379000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Ohta:2007:TAL,
author = "Koji Ohta and Kenji Kamada",
title = "Theoretical Approach to Large Two-Photon Absorption
Cross Section in Extended $\pi$-Conjugated Systems",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "389--405",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000389000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Ramasesha:2007:MMM,
author = "S. Ramasesha and Rajamani Raghunathan",
title = "Multiscale Modeling of Molecular Magnets",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "406--415",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000406000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Hobza:2007:CSE,
author = "Pavel Hobza",
title = "Calculations of the Stabilization Energies of the
Building Blocks of Biomacromolecules",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "416--424",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000416000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Yoshioka:2007:ABM,
author = "Yasunori Yoshioka",
title = "Applications of {B3LYP} Method for Enzyme Reactions:
{O$_2$} Reduction by Cytochrome {\em c\/} Oxidase and
Ubiquinol Oxidation by Cytochrome {\em bc$_1$\/}
Complex",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "425--436",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000425000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Sabin:2007:DAS,
author = "John R. Sabin and Remigio Cabrera Trujillo and L. T.
Chadderton and N. Yngve {\"O}hrn and Erik Deumens",
title = "Directional Aspects of Swift Ion Stopping in a
Proto-Biological Molecule: Formaldehyde",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "437--447",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000437000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Harris:2007:HCW,
author = "Frank E. Harris",
title = "Highly Compact Wavefunctions for Four-Body Systems",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "448--459",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000448000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Morales:2007:CSD,
author = "Jorge A. Morales",
title = "Coherent-States Dynamics: {A} Tribute to {N. Yngve
{\"O}hrn}",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "460--473",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000460000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Zdetsis:2007:SDB,
author = "Aristides D. Zdetsis",
title = "Similarities and Differences Between Silicon and
Carbon Nanostructures: Theoretical Predictions",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "474--480",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000474000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Bieniasz:2007:UVC,
author = "L. K. Bieniasz",
title = "A Unifying View of Computational Electrochemistry",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "481--486",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000481000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Nikolic:2007:RAT,
author = "Sonja Nikolic",
title = "Recent Advances in the Theory of {Zagreb} Indices",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "487--490",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000487000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Altoe:2007:CTQ,
author = "Piero Alto{\`e} and Marco Stenta and Andrea Bottoni
and Marco Garavelli",
title = "{COBRAMM}: {A} Tunable {QM\slash MM} Approach to
Complex Molecular Architectures. Modelling the Excited
and Ground State Properties of Sized Molecular
Systems",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "491--505",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000491000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Zerbetto:2007:TUD,
author = "Francesco Zerbetto",
title = "Towards Understanding Different Spatial and Temporal
Scales",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "506--512",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000506000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Elstner:2007:SPT,
author = "M. Elstner and M. Hoffmann and M. Wanko",
title = "Simulation of Proton Transfer Processes and
Excited-State Properties in Proteins with {QM\slash MM}
Methods",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "513--519",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000513000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Zannoni:2007:CSL,
author = "Claudio Zannoni",
title = "Computer Simulation of Liquid Crystal Materials: From
Generic to Specifically Decorated Molecular Models",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "520--525",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000520000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Serrano-Andres:2007:BPC,
author = "Luis Serrano-Andr{\'e}s and Manuela Merch{\'a}n and
Daniel Roca-Sanju{\'a}n and Gloria Olaso-Gonz{\'a}lez
and Mercedes Rubio",
title = "Bioexcimers as Precursors of Charge Transfer and
Reactivity in Photobiology",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "526--532",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000526000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Paspalakis:2007:CIP,
author = "Emmanuel Paspalakis and Constantinos Simserides and
Andreas F. Terzis",
title = "Controlled Intersubband Population Dynamics in a
Semiconductor Quantum Well",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "533--540",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000533000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Thanopulos:2007:LID,
author = "Ioannis Thanopulos",
title = "Laser-Induced Dynamical Chirality and Intramolecular
Energy Flow in the {CH} Chromophore",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "541--551",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000541000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Muller:2007:HEQ,
author = "Carsten M{\"u}ller and Guido R. Mocken and Karen Z.
Hatsagortsyan and Christoph H. Keitel",
title = "High-energy Quantum Dynamics in Ultra-Intense Laser
Pulses",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "552--559",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000552000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Nicolaides:2007:IME,
author = "Cleanthes A. Nicolaides and Theodoros Mercouris and
Yannis Komninos",
title = "Ab Initio Many-Electron Calculation of Hyperfast
Time-Resolved Coherent Excitation and Decay of
Polyelectronic Atoms",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "560--569",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000560000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{vanderZwan:2007:TIM,
author = "Elmar V. van der Zwan and Manfred Lein",
title = "Tomographic Imaging of Molecular Orbitals in Length
and Velocity Form",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "570--575",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000570000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Gonzalez:2007:LCW,
author = "Leticia Gonz{\'a}lez and Tam{\'a}s Rozgonyi and David
Ambrosek and Guillermo P{\'e}rez-Hern{\'a}ndez",
title = "Laser Control of Wavepacket Photodissociation and
Photoisomerization Dynamics in Isolated Molecules",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "576--585",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000576000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Batzias:2007:TSF,
author = "Fragiskos Batzias",
title = "Two-Step Fuzzy Multicriteria Ranking of Whole Cells
Immobilization Methods for Biosensor\slash Biocatalyst
Selection\slash Synthesis",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "586--595",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000586000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Nandy:2007:MCD,
author = "A. Nandy",
title = "Mathematical Characterization of {DNA} Sequences ---
Towards New Directions",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "596--602",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000596000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Ruta:2007:RSD,
author = "Dymitr Ruta and Bogdan Gabrys",
title = "Reducing Spatial Data Complexity for Classification
Models",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "603--613",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000603000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Persson:2007:ESS,
author = "Ingmar Persson",
title = "Experimental Structural Studies of Solutes in Aqueous
Solution",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "614--620",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000614000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Marcos:2007:CMSa,
author = "E. S{\'a}nchez Marcos and E. C. Beret and J. M.
Mart{\'\i}nez and R. R. Pappalardo and R. Ayala and A.
Mu{\~n}oz-P{\'a}ez",
title = "Coupling {MD} Simulations and {X-ray} Absorption
Spectroscopy to Study Ions in Solution",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "621--626",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000621000001&idtype=cvips",
acknowledgement = ack-nhfb,
remark = "This appears to be a duplicate of \cite{Marcos:2007:CMSb}.",
}
@InProceedings{Caballero-Gil:2007:GBI,
author = "P. Caballero-Gil and A. F{\'u}ster-Sabater",
title = "Graph-Based Improvement of Edit Distance Attacks",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "627--635",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000627000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Manias:2007:ESM,
author = "E. Manias and Alexei M. Kisselev",
title = "Equation-of-State Model for Temperature-Responsive
Polymers with Tunable Response Onset",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "636--651",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000636000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Khokhlov:2007:CDCa,
author = "Alexei R. Khokhlov and Yury A. Kriksin and Igor Ya.
Erukhimovich and Pavel G. Khalatu",
title = "Computer Design of Copolymers with Desired
Functionalities: Microphase Separation in Diblock
Copolymers with Amphiphilic Block",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "652--658",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000652000001&idtype=cvips",
acknowledgement = ack-nhfb,
remark = "This appears to be a duplicate of \cite{Khokhlov:2007:CDCb}.",
}
@InProceedings{Li:2007:SBE,
author = "Yiming Li and Shao-Ming Yu and Yi-Ting Kuo and
Yih-Lang Li",
title = "Simulation-Based Evolutionary Method in Antenna Design
Optimization for {WLAN} and Wireless Communication
Applications",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "659--670",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000659000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Li:2007:EED,
author = "Yiming Li and Su-Yun Chiang and Kuen-Ying Liou",
title = "Evolutionary Estimation of Diffusion Models in
Multi-Generation {NAND} Flash Memory Using Genetic
Algorithm",
crossref = "Maroulis:2007:CMS",
volume = "1",
publisher = pub-AIP,
address = pub-AIP:adr,
pages = "671--676",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000001000671000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Maroulis:2007:RBH,
author = "George Maroulis and Ajit J. Thakkar and K. J.
Murakami",
title = "The {Rodney Bartlett Honor Symposium}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "3--5",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000003000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Bacalis:2007:UFA,
author = "Naoum C. Bacalis",
title = "Utilizing the Fact that Among All Trial Functions
Orthogonal to an Approximate Ground State, {$\Phi^0$},
the closest, {$\Phi^{1+}$} to the Exact First Excited
State, {$\psi^1$}, has lower energy than the Exact:
{$E[\Phi^{1+}] < E[\psi^1]$}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "6--9",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000006000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Basak:2007:ITB,
author = "Subhash C. Basak and Brian D. Gute and Kevin T. Geiss
and Frank A. Witzmann",
title = "Information-Theoretic Biodescriptors for Proteomics
Maps: Applications to Rodent Hepatotoxicity",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "10--13",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000010000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Begue:2007:MIS,
author = "Didier B{\'e}gu{\'e} and Claude Pouchan",
title = "Modeling the {IR} Spectra of Acetaldehyde from a New
Vibrational Configuration Interaction Method",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "14--18",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000014000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Dhiflaoui:2007:SSK,
author = "J. Dhiflaoui and H. Bouzouita and H. Berriche",
title = "Stability and Structure of {Na$^+$ Kr$_n$} ($n =$
1--20) Clusters",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "19--22",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000019000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Mabrouk:2007:TSC,
author = "N. Mabrouk and H. Berriche and F. X. Gadea",
title = "Theoretical Study of the {CsLi} Molecule Beyond the
{Born--Oppenheimer} Approximation",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "23--27",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000023000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Bielinska-Waz:2007:SDD,
author = "P. Bieli{\'n}ska-W{\k{a}}{\.z} and W. Nowak and A.
Nandy and S. C. Basak",
title = "Similarity and Dissimilarity of {DNA\slash RNA}
Sequences",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "28--30",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000028000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Daskalakis:2007:PDS,
author = "Vangelis Daskalakis and Stavros C. Farantos and
Constantinos Varotsis",
title = "Protein Dynamics and Spectroscopy for Ferryl
Intermediate of Cytochrome {\em c\/} Oxidase: {A}
Molecular Dynamics Approach",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "31--34",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000031000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Dkhissi:2007:CTS,
author = "Ahmed Dkhissi and Claude Pouchan",
title = "Comparative Theoretical Study of
Poly[3-(4-Octylphenyl)thiophenes] and
Poly[3-(4-octylphenoxy)thiophenes] as Promising
Photovoltaic Cells Materials",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "35--39",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000035000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Domingues:2007:SPHa,
author = "Guilherme Domingues and Yoshiyuki Morie and Feng Long
Gu and Takeshi Nanri and Kazuaki Murakami",
title = "{SMMH} --- {A} Parallel Heuristic for Combinatorial
Optimization Problems",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "40--43",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000040000001&idtype=cvips",
acknowledgement = ack-nhfb,
remark = "Appears to be duplicate publication of
\cite{Domingues:2007:SPHb}.",
}
@InProceedings{Glaz:2007:IHR,
author = "Waldemar G{\l}az and Tadeusz Bancewicz and Jean-Luc
Godet and George Maroulis",
title = "Induced Hyper-{Rayleigh} Spectra. Theoretical and
Numerical Analysis of Spectral Moments",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "44--47",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000044000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Bartlett:2007:RDM,
author = "R. J. Bartlett and G. Fagas and J. C. Greer",
title = "Reduced Density Matrices in Quantum Electronic
Transport",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "48--51",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000048000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Gu:2007:IPC,
author = "Feng Long Gu and Hyacinthe Nzigou M. and Guilherme de
Melo Baptista Domingues and Takeshi Nanri and Kazuaki
Murakami",
title = "Investigating the Performance of Collective
Communications on {SMP} Clusters: {A} Case for {\tt
MPI\_Allgather}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "52--56",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000052000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Bai:2007:CCN,
author = "Haihua Bai and Chun Li and Hasi Agula and Jirimutu and
Jun Wang and Lili Xing",
title = "{Cp}-curve, a Novel {$3$-D} Graphical Representation
of Proteins",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "57--60",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000057000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Hohm:2007:TFD,
author = "Uwe Hohm",
title = "Are There Frame-Distortion Contributions to
Collision-Induced Absorption and Collision-Induced
Light Scattering?",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "61--63",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000061000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Honda:2007:IEF,
author = "Hiroaki Honda and Tetsuo Hayashi and Yuichi Inadomi
and Koji Inoue and Kazuaki J. Murakami",
title = "Implementation and Evaluation of {Fock} Matrix
Calculation Program on the {Cell Processor}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "64--67",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000064000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Karamanis:2007:EDP,
author = "Panaghiotis Karamanis and Demetrios Xenides",
title = "Electric Dipole Polarizability of Aluminum Phosphide
Clusters {Al$_n$ P$_n$ ($n =$ 2--9)} and Electron
Delocalization",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "68--71",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000068000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Kosmas:2007:CSD,
author = "Agnie Mylona Kosmas and Demetrios K. Papayannis",
title = "Computational Studies on Dihalogen Complexes of
{N}-methyl Imidazoline-2-thione and {N}-methyl
Imidazolidine-2-thione",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "72--75",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000072000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Kosmas:2007:HMN,
author = "Agnie M. Kosmas and Antonija Lesar",
title = "Halogenated Methyl Nitrates, {CX$_3$ONO$_2$ (X = F,
Cl)}. {A} Computational Study of their Properties and
Capacity to Act as Sink Compounds in the Troposphere",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "76--79",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000076000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Lindgren:2007:FTA,
author = "Ingvar Lindgren and Sten Salomonson and Daniel
Hedendahl",
title = "Field-Theoretical Approach to Many-Body Perturbation
Theory: Combining {MBPT} and {QED}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "80--83",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000080000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Makowski:2007:IAT,
author = "Marcin Makowski",
title = "Improvements in Algorithms for Two Electron Repulsion
Integrals Evaluation in {Gaussian} Type Basis Sets",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "84--87",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000084000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Mestechkin:2007:PMD,
author = "M. Mestechkin",
title = "Phenomenological and Microscopic Description of
Molecular Layer and Crystal Optical Polarization",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "88--91",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000088000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Minicozzi:2007:RMA,
author = "V. Minicozzi and S. Morante and G. C. Rossi and F.
Stellato",
title = "The r{\^o}le of Metals in Amyloid Aggregation: {A}
Test Case for {\em ab initio\/} Simulations",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "92--97",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000092000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Musia:2007:ECS,
author = "Monika Musia",
title = "{EOM--CCSDT} Study of the Low-Lying Ionization
Potentials of {CO}$_2$, {CS}$_2$ and {OCS}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "98--101",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000098000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Nakano:2007:SHD,
author = "Masayoshi Nakano and Ryohei Kishi and Akihito Takebe
and Masahito Nate and Hideaki Takahashi and Takashi
Kubo and Kenji Kamada and Koji Ohta and Beno{\^\i}t
Champagne and Edith Botek",
title = "Second Hyperpolarizabilities ($\gamma$) of 1,3-Dipole
Systems: Diradical Character Dependence of $\gamma$",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "102--105",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000102000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Nanri:2007:EPP,
author = "Takeshi Nanri and Takeshi Soga and Koji Kurihara and
Feng Long Gu and Hiroaki Ishihata and Kazuaki
Murakami",
title = "Evaluation of the Performance of Parallel
Sparse-Matrix Multiplication and the Effect of Dynamic
Load-Balancing",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "106--109",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000106000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Saal:2007:VNM,
author = "Amar Saal and Mahfoud Hadj Ben Ali and Ourida
Ouamerali",
title = "Vibrational Normal Modes Contributions to the
Vibrational First Hyperpolarizability in a Sample of
{TICT} Molecules",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "110--113",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000110000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Perera:2007:PQC,
author = "Ajith Perera",
title = "Predictive Quantum Chemistry: {A} Step Toward
``Chemistry Without Test Tubes''",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "114--117",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000114000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Pomogaeva:2007:BSP,
author = "Anna Pomogaeva and Feng Long Gu and Bernard Kirtman
and Yuriko Aoki",
title = "Band Structure of Polymer Extracted from Oligomer
Calculations",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "118--121",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000118000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Takami:2007:MPE,
author = "Toshiya Takami and Jun Maki and Jun'ichi Ooba and
Yuuichi Inadomi and Hiroaki Honda and Ryutaro Susukita
and Koji Inoue and Taizo Kobayashi and Rie Nogita and
Mutsumi Aoyagi",
title = "Multi-physics Extension of {OpenFMO} Framework",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "122--125",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000122000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Taube:2007:CEF,
author = "Andrew G. Taube and Rodney J. Bartlett",
title = "{$\Lambda$CCSD(T)} Energies and Forces: Improving Upon
{CCSD(T)}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "126--129",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000126000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Liu:2007:ICB,
author = "Kai Liu and Changhua Luo and Yanliang Ren and Jian Wan
and Xin Xu",
title = "Implementation of {CCNUGrid}-based Computational
Environment for Molecular Modeling",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "130--134",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000130000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Harris:2007:NYO,
author = "Frank E. Harris and John R. Sabin",
title = "The {Nils Yngve {\"O}hrn Symposium}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "137--137",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000137000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Harris:2007:DCT,
author = "Frank E. Harris and John R. Sabin",
title = "On a Dynamic Career: {A} Tribute to {Nils Yngve
{\"O}hrn}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "138--146",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000138000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Andre:2007:QCN,
author = "J.-M. Andr{\'e} and M.-Cl. Andr{\'e} and J. G. Fripiat
and C. Lambert",
title = "Quantum Chemistry and Non-Equilibrium Thermodynamics:
Does Chaos Play a Role in Quantum Chemical
Calculations?",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "147--150",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000147000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Gokhberg:2007:MPC,
author = "K. Gokhberg and V. Averbukh and V. Vysotskiy and L. S.
Cederbaum",
title = "Molecular Photoionization Cross-Sections by
Application of {Stieltjes} Imaging to {Lanczos}
Pseudospectra",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "151--154",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000151000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Beebe:2007:NDF,
author = "Nelson H. F. Beebe",
title = "New Directions in Floating-Point Arithmetic",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "155--158",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000155000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Brandas:2007:RQM,
author = "Erkki J. Br{\"a}ndas",
title = "Relativity and Quantum Mechanics",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "159--162",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000159000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Stoyanova:2007:MEB,
author = "A. Stoyanova and C. de Graaf and R. Broer",
title = "Many-Electron Bands in Transition Metal Compounds",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "163--166",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000163000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Champagne:2007:COS,
author = "Beno{\^\i}t Champagne",
title = "Computing Oscillator Strengths and Related
Properties",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "167--170",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000167000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Corongiu:2007:HFH,
author = "Giorgina Corongiu and Enrico Clementi",
title = "The {Hartree--Fock--Heitler--London} Method with
Applications to First and Second Row Diatomic Hydrides
and Homopolar Molecules",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "171--174",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000171000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Cruz:2007:GSE,
author = "Salvador A. Cruz and Eugenio Ley-Koo and Remigio
Cabrera-Trujillo",
title = "Ground State Energy Shift of {He} and {He$^+$} Close
to a Surface: {A} Confinement Model",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "175--178",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000175000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Fripiat:2007:FRM,
author = "J. G. Fripiat and J. Delhalle and Frank E. Harris",
title = "{Fourier} Representation Methods for
{M{\o}ller--Plesset} Perturbation Theory in
One-Dimensionally Periodic Systems",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "179--182",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000179000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Benedikt:2007:OBS,
author = "Udo Benedikt and Alexander A. Auer and Frank Jensen",
title = "Optimized Basis Sets for Calculating Spin-Spin
Coupling Constants",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "183--186",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000183000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Dahle:2007:EEC,
author = "P{\aa}l Dahle and Trygve Helgaker and Dan Jonsson and
Peter R. Taylor",
title = "Explicit Electron Correlation by a Combined Use of
{Gaussian-Type Orbitals} and {Gaussian-Type Geminals}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "187--190",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000187000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Jensen:2007:CEP,
author = "Hans J{\o}rgen Aagaard Jensen",
title = "Can Electron Propagator Methods be Used to Improve
Polarization Propagator Methods?",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "191--192",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000191000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Hoggan:2007:TWQ,
author = "Philip E. Hoggan",
title = "Trial Wavefunctions for Quantum {Monte Carlo}
Simulations with Numerically Stable Analytical
Gradients over Exponential Type Orbitals",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "193--196",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000193000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Kaijser:2007:TQL,
author = "Per Kaijser",
title = "Three Quantum Leaps in the Development of Information
Security",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "197--199",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000197000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Kirtman:2007:VPA,
author = "Bernard Kirtman and Michael Springborg",
title = "Vector Potential Approach for Response of Infinite
Periodic Systems to Electric Fields",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "200--205",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000200000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Karpfen:2007:CMS,
author = "Alfred Karpfen and Eugene S. Kryachko",
title = "The Concept of Molecular Shape Response Quantified
within Force Field Approach",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "206--209",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000206000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Aspuru-Guzik:2007:RDQ,
author = "Alan Aspuru-Guzik and Brian Austin and Dominik Domin
and Peter T. A. Galek and Nicholas Handy and Rajendra
Prasad and Romelia Salomon-Ferrer and Naoto Umezawa and
William A. {Lester, Jr.}",
title = "Recent Developments in Quantum {Monte Carlo}: Methods
and Applications",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "210--211",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000210000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Linderberg:2007:SYO,
author = "Jan Linderberg",
title = "The Science of {Yngve {\"O}hrn}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "212--215",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000212000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Malinovskaya:2007:CPA,
author = "Svetlana A. Malinovskaya",
title = "Chirped Pulse Adiabatic Passage in {CARS} for Imaging
of Biological Structure and Dynamics",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "216--218",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000216000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Hudock:2007:FPD,
author = "Hanneli R. Hudock and Benjamin G. Levine and Alexis L.
Thompson and Todd J. Martinez",
title = "First Principles Dynamics of Photoexcited {DNA} and
{RNA} Bases",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "219--222",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000219000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Rehman:2007:TPC,
author = "M. Rehman and L. Olsen and K. V. Mikkelsen",
title = "Two-Photon Cross-Sections of Photosensitizers in
Vacuum, in Solution and within Proteins",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "223--226",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000223000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Sarma:2007:LCP,
author = "Manabendra Sarma and Raman K. Singh and Manoj K.
Mishra",
title = "Local Complex Potential Based Time Dependent Wave
Packet Approach to Calculation of Vibrational
Excitation Cross-sections in {e--N$_2$}, {e--H}$_2$ and
{e--CO} Scattering",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "227--230",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000227000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Mitin:2007:ADE,
author = "Alexander V. Mitin",
title = "Accurate Dissociation Energies of {He$_2$} and
{Be$_2$} Calculated by {MRCI} Method",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "231--234",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000231000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Mujica:2007:NAE,
author = "Vladimiro Mujica and Thorsten Hansen and Mark A.
Ratner",
title = "Non-Adiabatic Effects in Electron Tunneling in
Molecular Junctions",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "235--237",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000235000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Ortiz:2007:EPT,
author = "J. V. Ortiz",
title = "Electron Propagator Theory and the Development of
Chemical Intuition",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "238--240",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000238000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Patterson:2007:QOE,
author = "Charles H. Patterson and S.
Galami{\'c}-Mulaomerovi{\'c}",
title = "Quasiparticle and Optical Excitations in Solid {Ne}
and {Ar}: {\em GW\/} and {\em BSE\/} Approximations",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "241--244",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000241000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Quack:2007:RRQ,
author = "Martin Quack",
title = "Recent Results in Quantum Chemical Kinetics from High
Resolution Spectroscopy",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "245--248",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000245000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Rabitz:2007:WDC,
author = "Herschel Rabitz",
title = "Why Does Controlling Quantum Phenomena Appear Easy to
Achieve?",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "249--251",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000249000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Matveev:2007:RGD,
author = "Alexei V. Matveev and Notker R{\"o}sch",
title = "Response to Geometric Distortions from Atom-Based
Relativistic Projection on Electronic States",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "252--255",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000252000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Simons:2007:HDL,
author = "Jack Simons",
title = "How Do Low-energy (0.1--2 {eV}) Electrons Cause {DNA}
Strand Breaks?",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "256--259",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000256000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Stolterfoht:2007:EIE,
author = "N. Stolterfoht and R. Cabrera-Trujillo and Y. {\"O}hrn
and E. Deumens and R. Hoekstra and J. R. Sabin",
title = "Enormous Isotope Effects on Charge Transfer in Slow
Collisions of {He$^{2+}$} with {H}, {D}, and {T}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "260--263",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000260000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Temme:2007:LRW,
author = "F. P. Temme",
title = "Limitations of {Racah--Wigner} Algebra in
{S}$_n$-Invariant Theoretic Modelling of {NMR} Spin
Dynamics via Dual Tensorial Sets",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "264--268",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000264000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Gonzalez:2007:CSC,
author = "Olmo Gonz{\'a}lez and Manuel Combes and Cristian
Gleason and G. Hinojosa and R. Cabrera-Trujillo",
title = "Cross Sections for {C}$^+$ and {O}$^+$ Production in
the Collision of {CO}$_2^+$ Ions with Atomic {He}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "269--273",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000269000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Voloshina:2007:ECE,
author = "Elena Voloshina and Beate Paulus",
title = "Electron-Correlation Effects in Metals from First
Principles: a Multi-Reference Incremental Scheme",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "274--277",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000274000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Zheng:2007:LDE,
author = "Xuehe Zheng and Ngan M. Ly and Alexei A.
Stuchebrukhov",
title = "Long-Distance Electron Transfer Coupled to Proton
Pumping and Energy Transduction in Biological Systems:
{A} Semiempirical First-Principles Approach",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "278--281",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000278000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Castet:2007:MSSb,
author = "Fr{\'e}d{\'e}ric Castet and Beno{\^\i}t Champagne and
Masayoshi Nakano and Hideaki Takahashi",
title = "Multi-Scale Simulations For Materials and Life
Sciences",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "285--286",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000285000001&idtype=cvips",
acknowledgement = ack-nhfb,
remark = "This appears to be a duplicate of \cite{Castet:2007:MSSb}.",
}
@InProceedings{Aiga:2007:DFT,
author = "Fumihiko Aiga and Hiroki Iwanaga and Akio Amano",
title = "Density Functional Theory Investigation of {Eu(III)}
Complexes for Fluorescence Compounds",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "287--290",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000287000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Calzado:2007:ADH,
author = "Carmen J. Calzado and Jean-Paul Malrieu and Daniel
Maynau",
title = "Approaches to Dealing with High-Sized Polynuclear
Systems with {\em ab initio\/} Methods",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "291--294",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000291000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Aurel:2007:VBM,
author = "Philippe Aurel and Alain Fritsch and Laurent Ducasse
and Mathieu Linares and J{\'e}r{\^o}me Cornil and David
Beljonne and Fr{\'e}d{\'e}ric Castet",
title = "A Valence Bond Model to Evaluate Electronic Parameters
for Charge Transport in Organic Aggregates",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "295--298",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000295000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Curutchet:2007:TBV,
author = "Carles Curutchet and Vincenzo Russo and Benedetta
Mennucci",
title = "Through-bond Versus Through-Space Contributions on
Excitation Energy Transfer in Condensed Phase",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "299--302",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000299000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Dive:2007:AQC,
author = "Georges Dive and Dominique Dehareng",
title = "Applied Quantum Chemistry to Design Antibiotics",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "303--305",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000303000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Ehara:2007:POL,
author = "Masahiro Ehara and Hiroshi Nakatsuji",
title = "Photochemistry of Organic Light-Emitting Diodes",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "306--310",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000306000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Fukunishi:2007:SBD,
author = "Yoshifumi Fukunishi",
title = "Structure-based Drug Screening and Ligand-Based Drug
Screening Toward Protein-Compound Network",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "311--314",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000311000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Guallar:2007:QMS,
author = "Victor Guallar",
title = "{QMMM} Methods for the Spin Density in Heme Compound
{I}",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "315--317",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000315000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Guthmuller:2007:NOP,
author = "J. Guthmuller and D. Simon",
title = "Nonlinear Optical Properties of Conjugated Molecules
Studied by Time-Dependent Density Functional Theory",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "318--321",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000318000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Sugiyama:2007:TSD,
author = "Ayumu Sugiyama and Keigo Nishikawa and Tetsunori
Yamamoto and Acep Purqon and Kiyoshi Nishikawa and
Hidemi Nagao",
title = "Theoretical Studies on Docking Dynamics and Electronic
Structure in Metalloprotein Complexes",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "322--325",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPCS000963000002000322000001&idtype=cvips",
acknowledgement = ack-nhfb,
}
@InProceedings{Andreu:2007:IHD,
author = "R. Andreu and M. J. Blesa and S. Franco and J.
Gar{\'\i}n and J. Orduna",
title = "{\em Ab Initio\/} {HF} and {DFT} Calculation of the
Second Order {NLO} Response of Tetrathiafulvalene and
1,3-Dithiole Derivatives",
crossref = "Simos:2007:CMS",
volume = "2A",
pages = "326--329",
year = "2007",
bibdate = "Thu Feb 21 14:34:40 2008",
URL = "http://proceedings.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=APCPC