AA AAI AAgren ACA ACB ACC ACG ACH ACI ACX ADT ADV ADX AEA AEC AEG AES AFR AHF AI AIC AIP AIS ANF ANL ANO AO AO's AOL AOT AP APL APO APW AQC AQCHA AQCa AQCb AQCc AQCd ARL AXR Aa Aage Ab Abinitio Acetylcholine Acknowledgement Acknowledgements Acrylonitrile Actinyl Adachi Adamo Adv Advan Akinori Akio Akitomo Albers Alberte Alessandro Alferova Alml Almlof Alonso Alphas Altmann's Amad Amary Amedeo Amovilli Andersson Andr Angeli Antibinding Antihistamines Antisymmetrized Apolar Apostolova Appendice Aquilanti Arie Arne ArticleFirst Aslangul Atabek Aufbau Augusto Avoird Azide B BAg BAu BC BCC BCu BH BIE BMM BN BOS BRH BSR BSSE BST BTS BaTiO Bader Balb Baldauf Ballhausen Bandyopadhyay Baraldi Barbier Barnali Barone Barun Barune Barysz Basilevsky Bastug Basu Batandjieva Behaviour Beier Bendazzoli Benoit Ber Bergquist Berkeland Bernd Bernholdt Bersuker Berthier Berzinsh Besal Bethe Bi Biaryls BibNet BibTeX Biedenharn Bielectron Bieli Bielinskawaz Bieniewski Bingel Biorbitals Biorthonormal Bipolaron Bipolaronic Bis Blaha Blanca Boada Boettger Bogar Boglyubov Bogumi Bollinger Bonham Bonnelle Boranes Borislava Borrelli Bossa Br Brage Brahimi Brandas Brandow Brato Bratoz Breit Briels Broc Broclawik Buenker Burkhard Bylander Bylicki C CASSCF CASVB CC CCA CCH CCI CCIa CCPPA CCS CCSD CDF CEB CEO CEP CES CETO CETOs CFI CH CHEM CI CIC CIM CLE CLS CMB CN CNM CODEN CP CPP CPV CPVa CPVb CQC CQS CR CRC CS CSA CSC CSE CSF CSR CTA CTM CV CVE CVa CVb CVc CVd CVe CVf Ca Cabrera Calabuig Calculational Cammi Canc Cantu Canuto Capecchi Capobianco Carb Carbides Carbo Caro Castells Cations Cavalli Cb Cc Cd Ce CeO Cederbaum Celestino Cernu Cesar Chaquin Charmonium Chem Cheng Chermette Cheung Choi Chri Christa Christiansen Christof Christoffersen Chul Cioslowski Cizek Cl Clebsch Co Colle Collis Collisional Commutator Compendex Complexation Condon Constanciel Coppens Cory Cos Cossi Coutinho Covalency CrF Cremer Cronstrand Cserny Csizmadia Cu Cuprate Cuprates Cycloadditions Cyclobutanone Czyzak D DCS DDM DEA DF DFC DFO DFR DFT DGB DGE DIR DMC DME DMF DMP DMR DMRG DMT DSM DTW DV DVM DXC Dag Dario Das Datta Daudel Debashis Decouplings Dedieu Defranceschi Degeneracies DelRe Delchev Deleuze Delgado Delhalle Delocalizations Denis Deprotonation Deumens Deuteration Di Diabatic Diagrammatics Diamide Diastereoselectivity Dichroism Didonato Diercksen Dihydrates Dimethoxy Dimethylamine Dinegative Dinesha Dioximato Dipolar Discotic Dorca Doren Dorota Dreizler Drukarev Duch Dunne Dunning E EAS EBC EBS ECD ECF ECM EDF EDS EED EHF EHM EHS EIT EMC EMD EMO EMS ENC ENDO EOMXCC EPC EPR EPS EPV ESC ESG ESI ESM ESO ESP ESS ETH EUM EXO Eberhard Edouard Egil Eichler Eigenfunctions Eilers Ek Eka Ekstr Elander Electromagnetic Electronegativity Eliav Emili Endo Enflo Engels Enthalpies Eolo Eriksen Eriksson Erkki Erkoc Ermler Ern Ernzerhof Ethanedione Euristic Evangelisti Excitons Exo Extensivity Eyring F FAQ FAX FCS FD FDC FDH FDN FET FGQ FOC FOM FON FOPIM FPI FPL FRC FSO FTA Fabio Fabrizio Famulari Fazio Feinberg Ferenc Ferretti Feshbach Feynman Flisz Fliszar Floquet Fock Forner Foulkes Fraessdorf Franck Freeon Fri Fricke Friese Fripiat Frobenius Froe Froelich Fujimoto Fujio Fujiwara Fukui Fukushima Fukutome Fullerene Fumikazu G GBW GCE GCK GEI GES GGA GHF GIM GOS GPC GSZ GTO GTT Gabriella Gadre Gandolfi Gao Garc Gauld Gavezzotti Geerd Geerlings Geertsen Geldart Geminals Genealogical Gennady Gerratt Gian Gianinetti Giorgi Giorgio Girard Giron Glushkov Gonis Gonze Gordan Gra Grabo Grabowski Green's Grein Greiner Grinberg Gropen Guenz Guenzburger Guglielmo Gunnar Guo Gustavsson Gutsev Gy H HAC HB HBXYBH HCC HCH HF HHF HLSP HPH HPHF HPL HPS HSAB Haeffler Hanstorp Harmonium Hartee Hartmann Hartree Hatamoto Hattig Havlas Hayafuji Heckenberg Heijmen Helgaker Hellmann Helmfrid Heme Henne Henriksson Heredity Herigonte Heterostructures Hettema Hg Hiberty Hidekazu Hidenori Hideo Hinze Hirata Hirohide Hirohiko Hirschfelder Hisanobu Hitoshi Hjalmars Hoffges Hoffmann Hohenberg Horacio Huba Hubac Hund Hund's Huzinaga Hybertsen Hybridization Hydrogenic Hylleraas Hyperangles Hyperangular Hyperpolarizabilities Hyperquantization Hypershielding Hypershieldings Hyperspherical Hyunju I'Haya ICL ICM IDB IFC IFD IGT IHF IHaya IMO IMS INDO INSCC INSPEC IPM IPT IRQ ISBN ISF ISSN Ia Iafrate Ib Ic Id Ikeda Imanaga Improta InCollection Inagaki Indolealkylamines Indrek Inga Ingrid Ingvar Initio Intensivity Interatomic Internuclear Ionization Ireneusz Isao Ishii Ishikawa Isoelectronic Isomerism Isovalent Istv Itagaki Itano Ivanov Ivar J JGC JRG JT JTE Jacek Jacopo Jae Jahn Jankowski Janoschek Jansen Je Jehle Jellium Jens Jeong Jeppe Jerzy Jeziorski Ji Joachim Jordi Josep Ju Jun K KIS KLI KXR Ka Kadam Kaijser Kaldor Kalemos Kaline Kanamaru Kapur Karasiev Karelson Karwowski Kato Katriel Katsuhiro Katsumi Kawai Kawasaki Kazuchika Kazuo Kazuyoshi Kelterbaum Kenichi Kennerly Kert Kertesz Ket Khoudir Kieninger Kikko Kilpatrick Kimichika Kimio Kimura Kiyan Klahn Kleinman Kleinpoppen Klinkm Klixb Klobukowski Ko Kobe Kobus Kochanski Koga Kohn Koichiro Kolos Koopmans Korona Kossel Kotani Kottis Kov Kover Kowada Koyama Kozmutza Krassimir Kreibich Kryachko Kucharski Kuleff Kumiko Kurihara Kurisaki Kurth Kurtz Kutzelnigg Kwi Kwiatkowski Kyu L LAL LC LCAO LCCN LCMVAO LCP LCX LCa LCb LDA LDF LJP LMO LS LaTeX Labzowsky Ladik Lai Lami Lanczos Langenaeker Langreth Lara Laurens Laurenzi Lauterbach Lav Lavin Lazzeretti LeSar Lefebvre Legon Leibfried Leif Lembarki Lengyel Lennard Leonel Leszczynskin Li LiH Liegener Linder Linderberg Lindgren Liouville Liouvillian Liu Ljungblad Lloren Localizability Loges Longo Longuet Louck Loughlin Louie Lowdin Lude Ludena Luigi Lunell Luo Lykos M MBGF MBPT MBW MCA MCD MCSCF MCT MDS MED MEDLA MELVYL MEP MES MFD MIB MIC MIM MMS MO's MOC MOV MPB MPn MQS MSC MST MVR Macrocyclic Madelung Mahapatra Maldonado Maleonitrile Manabu Manne Manoj Maquet Mara Margenau Mariangela Marius Martina Maruani Masahiko Masao Masaru Masateru Masayoshi Masayuki Masik MathSciNet Mati Matric Matsen Matsuo Matteo Mavridis Mc McWeeny McWilliams Medikeri Meekhof Mehler Mennucci Metalloporphyrins Methylamine Metrology Mezey Meziane Mg MgO Miadokov Mich Micha Mik Mikhail Mikkelsen Mikl Minaev Mineva Minh Minimality Mir Mirko Miro Miroslav Mishra Mitsutoshi Mo MoF Molina Moller Momicchioli Moncrieff Mono Monoconfigurational Monocoordinated Montabonnel Morikawa Morinaga Morishita Morpurgo Morten Mosley Moszynski Moule Mourik Mukherjee Mukoyama Multiconfiguration Multiconfigurational Multimode Multiphoton Multipole Multireference Muonium Myung N NBO NCB NCT NG's NIF NIV NMP NO's NP NPW NSG's NSO's Na Nakagawa Nakajima Nakamatsu Nalewajski Nekovee Nesbet Neshev Ni Nieminen Nikitin Ning Nitrides Nitrones Nonadditive Nonadditivity Nonadiabatic Noncanonical Nonconserved Nondegenerate Nonempirical Nonexponential Nonpolar Nonrelativistic Nonrigid Norbeck Nordling Novoa O OBA OCLC OCR OEP OKa OLeary OMC ONCV OSS OTA OVC OVR Oddershede Ogasawara Ogletree Ogurtsov Ohno Ohrn Ohta Oka Okino Oligomers Oliveira Olov Onoe Onsager Orthonormality Orthonormalization Ortiz Ovchinnikov Ovchinnikova Oxonium Oxyanions P PAE PCP PCW PMC PMP PNR POH PPC PPE PPI PSS PST PT PTL PTT PVB Paldus Palma Paragi Parametrization Pariser Pasquale Pathak Pati Pauncz Pb Peder Pedici Peebles Pegg Peierls Pekeris Pekka Peluso Pendrill PerOlovLowdinPub Percus Perdew PerezdelValle Peris Permanganate Permutational Pershina Persson Perturbative Petrongolo Peyerimhoff Phenethanolamines Phenethylamines Philemon Philippe Phosphorescence Photodetachment Photodissociation Photodynamic Photoelectron Photoemission Photoionization Photophysics Phys Physicochemical Piecuch Pino Plathe Plesset Plunien Podolsky Polarizabilities Polarizability Polarizable Polinger Politzer Polyacetylene Polyatomic Polyene Polyenes Polymers Polypyridine Polyynes Pomelli Ponterini Pople Poshusta Positronium Poul Proft Propagator Propagators Protonated Protonation Pseudopotentials Pt Purnendranath Pyykk Pyykko Q QCC QCI QCM QCS QCT QCW QD QDL QEF QES QGA QMA QMC QMM QMP QSC QTA QTC QTD QTST QTT Quasidegenerate Quiney R RAD RAO RAS RCP RDC RDD RDE RDF RDG RDH RDL RDM RDM's RDP REC RFN RFS RLI RM RMC RMI RMM ROR RPA RQC RSC RTC RTD RTR RVS Rabenold Radiationless Raffaele Rahmouni Raimondi Rajagopal Rajeev Ramasesha Ramon Randi Rasolt Rastelli Raychev Razafinjanahary Rees Regioselectivity Regularization Remo Renormalization Representability Resolvent Rettrup Rika Robertsson Rogemond Rohmer Rolando Romero Roothaan Roothaan's Ros Roszak Rototranslational Rubinsztein Rubio Ruedenberg Rus Ryaboy Rychlewski S SAB SAH SAS SCE SCF SCP SCS SCVB SDMRG SDP SDT SES SF SFQ SGC SGM SGN SHC SI SLR SMN SMP SOR SPC SPE SPL SPN SPR SQS SRD SRG SRS SS SSD SSG SSM SSS STE SU SUC SVB SWD SWI SWT Saalmann Sabin Sadhan Sahni Sakir Salomonson Sandoval Sannigrahi Santoro Sarma Sarzi Sason Sauer Sc ScB Schae Schl Schluter Schmelcher Schmid Schr Schulthess Schulze Schur's Schwarz Scrocco Seiichi Sekine Sekino Semiclassical Semidirect Semiempirical Seminario Senent Sepp Serotonin Serre Shaik Shakeup Shalabi Sherif Shigemi Shigero Shinji Shoichi Shridhar Shuai Shubin Shuji SiH SiN SiO Sicilia Sigeru Sigrid Simone Simonetta Sinha Sironi Skaane Slags Slanina Smeyers Smutny Soff Solomatin Solovay's Solvation Somorjai Soo Sourav Specchio Spectroscopist Sperber Spinors Srivastava Stancil Stanislaw Stavrev Ste Stefano Steffen Steinborn Sten Stephan Stereomolecules Stereoregular Stereostructure Sternheimer Strutinsky Sturmian Sturmians Suard Subduction Subshell Substituents Sucher Sunnergren Superconducting Superconductivity Superconductors Superheavy Superoperator Superoperators Sutcliffe Suter Svanberg Sven Swapan Sylvio Symmetrized Syunji Szarecka Szczepan T TAH TAS TCM TCP TDD TDQ TDV TEO TES TET THF TIH TLE TMA TMC TMS TPC TQM TRB TS TSC TSE TSF TSR TST Ta Tachibana Tachimori Tadayoshi Takahashi Takenaga Takeshi Takeuchi Takugo Taniguchi Tapia Tartaric Tatiana Tautomeric Tautomerism Tautomers Tergiman Tetra Tetramethyldiamide Tetsuo Textbridge Tfirst Thermochemistry Thermodynamical Thiobase Thiol Thiouracils Thirunamachandran Tho Thorsteinsson Thu TiC Tino Tokio Tokman Tomas Tomasi Tomonaga Toscano Toshikatsu Toshio Touhara Townes Toyohisa Trickey Tronc Trujillo Trygve Tsu Tsutomu Tue Turchi Turgut Tz U UC UCE UDX UEK UGA UGM ULB URL UTM UTV UV Uda Ulf Uncoupling Unrelaxed Uppsala Uttam Uzi V VAO VB VBM VIJ VIM VUV Vahtras Valdemoro Valderrama Valency Valle Vandana Vanderavoird Vandoni Vanhove Vanossi Varga Variational Variationally Vauthier Vedene Veillard Velasco Veniard Ventura Vibrational Vibronic Vick Vignale Vilkas Villani Vincenzo Vipin Viraht Virial Visualisation Volkov Volpi Vosko W WBC WCG WDG WF WFB WPa WPb WPc WPd WWW Wakita Walther Wavefunction Wavefunctions Wedderburn's Weiner Weinhold Weitao Wenjian Weyl Wigner Wineland Woolley Woon WorldCat Wullen Wybourne X XANES XII XIII XIV XRA XRE XSC XV XVI XY Xiangzhu Xl Y YOS Ya Yamabe Yamaguchi Yamamoto Yamashita Yaming Yan Yarevsky Yasunari Yasuyuki Yi Yngve Yokomizo Yoon Yoshinori Yoshio Yoshiyuki Yotov Yu Yukawa Yukiko Yuko Z ZDO ZRP Zahradn Zakhariev Zapol Zden Zentralblatt Zerner Zielinski Zielinskis Zn Zou Zs Zupan Zygelman ab abbrev academicpress acetamide ack acknowledgement acm adr advquantumchem ael algebraist allref alpinist ane anes annote ap apcatalog arabic aw awik aza b ba bbl beebe bibdate bibliographystyle bibmods bibnames bibsort bibsource bis bo booktitle bor bro bromo byvolume byyear c ca cgi chem ckel co codetable com configurational cs cyclo das de dec del der di dinger dioctyloxyphenyl docstring e eb edu ek email er etislav f fer ffges g ga gnes gren hardback hbuk hrn html http hyperpolarizabilities i ials iams ic ieee ik initio ispell ite j journalabr k ka ke keV kel ki ko kow kvac l le lia lich ll ller lon ltx m markup mato meth mo n na nard nd ndas ndor nhfb niard nos nt o octyl od odzimierz odzis ographystyle org os oxi oxy oz p pecs pez phen po pseu r rav rez rgen rgensen ri rner roman rpick rtensson ru ry s sch se shi showtags shu si ska sok st sta stergaard swe sz szyn tavs te ter tetra thier titleabr toc trans tsu ttig twocolumn u uk unsrt utah uu v vanMourik ven vs wc wdin www x xii xiii xiv xix xv xvi xvii xviii xx xxauthor xxi xxii xxiii xxnote xxv xxvi xxvii xxxi ya yl yu z zi zu