AA AAA AAI AAN AAgren ABM ACA ACB ACC ACG ACH ACI ACS ACX ADC ADP ADT ADV ADX AE AEA AEB AEC AEG AEH AER AES AFR AGP AGT AHF AHL AI AIB AIC AIO AIP AIS AJM AMC AMD AMQ AMS AMT ANF ANL ANO AO AO's AOL AOT AP APC APH APL APO APR APS APW AQA AQC AQCHA AQCa AQCb AQCc AQCd ARH ARL ARO ARS ASA ATD ATM ATOMKI ATiO AWP AXR Aa Aagaard Aage Aagren Aatto Ab Abajo Abdallah Abdullah Abhishek Abinitio Abou Abril Abul Acetylcholine Acevedo Acidities Acke Acknowledgement Acknowledgements Acrylonitrile Actinyl Adachi Adamo Adamowicz Adenine Adhikari Aditi Adjailia Adv Advan Ag Agnieszka Aguilar Agust Aharonov Ahlberg Ahmed Aizawa Aizpurua Ajith Akar Akdemir Akihiro Akinori Akio Akitomo Aksoy Alatalo Alber Albers Alberte Alberti Alcaraz Alcoba Aldazabal Alducin Alejandra Alejandro Aleksander Aleksandra Alembert Ales Alessandra Alessandro Alexei Alexey Alfaz Alferova Allosteric Alml Almlof Almora Alon Alonso Alphas Altmann Altmann's Alturria Aluminate Amad Amary Amedeo Amedjkouh Amir Ammar Amovilli Amundsen Anael Analyses Anas Anastasia Ancarani Ancheyta Anda Andersson Andino Andr Andrea Andreas Andrei Andrey Angeli Angelotti Angom Anharmonic Anisidine Annette Annia Annik Ansatz Anthracene Antibinding Antiferromagnetic Antiferromagnetism Antihistamines Antihydrogen Antilinear Antiproton Antisymmetrized Antisymmetry Anton Antonio Antosiewicz Apagyi Apell Apolar Apostolos Apostolova Appendice Appendices Applencourt Aquilanti Aquino Ar Araki Aramburu Archubi Argenti Arie Arista Aristides Ariya Arkadiusz Arnau Arnaud Arne Arnout Arrieta Arseni Arteca ArticleFirst Artur Artyukhov Arun Asbj Ashwell Asl Aslangul Aspuru Assaraf Asymptotics Atabek Atanasov Atiqur Atmospherically Attila Au Aucar Aufbau Augusto Augustyniak Autoionizing Averbukh Avery Avil Avoird Avraham Avram Ayati Azide Azido Aztatzi B BAM BAg BAu BC BCB BCC BCS BCu BDO BEC BES BH BIE BMM BN BOS BPA BPE BRH BSC BSR BSS BSSE BST BTS Ba BaTiO Baba Baccarelli Bader Baer Baerdemacker Bagci Bahmann Balaji Balb Baldauf Ballhausen Bandyopadhyay Barak Baraldi Barbier Barca Barkas Barnab Barnali Barone Barrachina Barriuso Bartkowiak Bartschat Barun Barune Barysz Basak Basicities Basilevsky Baskerville Bastien Bastug Basu Batandjieva Bauman Baumann Bazyl Bedurke Behaviour Beier Bela BelenRuiz Belki Belkic Bellayouni Bendazzoli Bende Bene Benedetta Benedito Benford Beno Benoit Ber Berger Bergquist Bergstr Berkeland Bernal Bernd Bernhard Bernholdt Berriche Berrondo Bersuker Berthier Berzinsh Besal Beswick Bethe Bevilacqua Bhattacharya Bholanath Bi Bianco Biaryls BibNet BibTeX Bichsel Biczysko Bidhan Biedenharn Bielectron Bieli Bielinska Bielinskawaz Bieniewski Bihary Billah Bingel Biogenic Biomolecules Biorbitals Biorthonormal Biphospholylidene Bipolaron Bipolaronic Birefringences Bis Bischoff Bivariate Bj Blaha Blanca Blanco Bloch Bo Boada Bocharnikova Boettger Bogar Bogdan Boggio Boglyubov Bogumi Bohm Bohmian Bohnen Bollinger Bols Boltrushko Bonham Bonnelle Boranes Boris Borislava Borja Borrelli Borschevsky Borshch Bossa Bouchelaghem Bouferguene Bouhadiba Bouledroua Bozkaya Br Brage Brahimi Brajesh Brancato Brandao Brandas Brandbyge Brandow Brato Bratoz Breakings Breit Brett Breuil Briels Brillouin Broc Broclawik Broctawik Bromopropane Bromouracil Bruynseraede Bubin Budylin Buenker Buksztel Bultinck Bunge Burgd Burke Burkhard Butadiene Buyadzhi Bylander Bylicki C CAA CAE CASSCF CASVB CBM CBP CBS CC CCA CCB CCD CCH CCI CCIa CCP CCPPA CCS CCSD CDD CDE CDF CDK CDL CDM CDQ CDW CEB CEC CED CEE CEF CEG CEH CEI CEL CEM CEO CEP CEQ CER CES CETO CETOs CF CFA CFC CFE CFG CFH CFI CFL CFM CFN CFO CFP CFQ CFS CFT CFU CFV CGT CH CHB CHEM CI CIB CIC CIE CIM CIS CJT CLE CLM CLS CMA CMB CMC CME CMM CMP CN CNA CNC CND CNF CNH CNI CNM CODEN COE COF COI COM COR COS CP CPE CPMD CPP CPQ CPS CPV CPVa CPVb CPa CPb CPc CPd CQC CQI CQS CR CRA CRC CRR CRS CS CSA CSB CSC CSCH CSD CSDA CSE CSF CSG CSH CSI CSL CSM CSP CSQ CSR CSS CST CSV CSX CTA CTB CTC CTD CTE CTF CTG CTH CTI CTK CTM CTN CTP CTQ CTR CTS CTT CV CVD CVE CVa CVb CVc CVd CVe CVf CVg CVh Ca CaMn CaO Cabral Cabrera Caffarel Calabuig Calais Calaminici Calculational Calderini Calderon Caldwell Caligiana Calisti Cammi Campo Canc Cantu Canuto Capecchi Capobianco Capozziello Cappelletti Capuzzi Carb Carbides Carbo Carbone Carboxylic Cardenuto Carlisle Carlo Carlos Carmina Caro Carvajal Casida Castells Caterine Cation Cationic Cations Caturla Cau Cauet Cavalli Cb Cc Cd CdI Ce CeO Cederbaum Celestino Cembrzy Cencek Centre Cernu Cesar Cesco Ceulemans Cf Chaim Chakraborty Chalmers Chao Chaquin Charkin Charmonium Chathanathil Chem Chemisorption Cheng Chermette Cheung Chi Chiappe Chiara Chibotaru Chida Chihaia Chikashi Chilkuri Chiral Chirality Chlo Cho Choi Chong Chri Christa Christiansen Christof Christoffersen Christoph Christophe Chromophore Chul Chulkov Chung Cimpoesu Cioslowski Circulenes Cizek Cl Claudette Cleanthes Clebsch Clemens Co Coccia Colavecchia Coletti Colin Colle Collins Collis Collisional Colour Combinations Commutator Compendex Complexation Compton Condon Conoidal Constanciel Contravariant Contreras Coopert Coppens Coriani Cornelia Coronado Correa Cory Corzo Cos Cossi Costa Coulombic Coulson Coutinho Covalency Covariant Cr CrF Cremer Cronstrand Cruz Cs Cserny Csizmadia Cu Cuervo Cueto Cuprate Cuprates Curtis Cycloadditions Cyclobutanone Cyclodextrin Cyclohexenone Cytosine Czyzak D D'Alembert DA DBA DBP DBS DC DCC DCJ DCS DDE DDF DDM DEA DEG DF DFA DFC DFI DFO DFR DFT DFTB DGB DGE DH DIR DJT DKC DLE DMC DME DMF DMP DMR DMRG DMT DOI DPA DPF DPS DQC DSC DSM DSR DST DTE DTR DTW DV DVA DVM DWB DWT DXC Dag Dage Dahl Dahnovsky Dailey Daisuke Dalgarno Dancoff Danko Dar Dario Dariusz Das Datta Daudel De DeBaerdemacker DeCarlos Debajit Debarati Debashis Debrecen Decoherence Decouplings Dedieu Defranceschi Degeneracies Degoli Degtyarenko DelBene DelPunta DelRe Delchev Deleuze Delgado Delhalle Delocalization Delocalizations Delocalized Denis Denlinger Denner Deprotonation Deprotonations Depurated Der Deumens Deuteration Devin Di DiDonato Diabatic Diagrammatics Diamide Diastereoselectivity Diaz Dichroism Didonato Diercksen Diery Dihydrates Dilip Dilmanian Dimethoxy Dimethyl Dimethylamine Dimitris Dinegative Dinesha Dioximato Dipolar Dirk Discotic Distortivity Djeroud Djilani Dolgounitcheva Dolin Dolmatov Dom Dominguez Donato Dong Dorca Doren Dorota Draganescu Dral Dreizler Drukarev Duan Duarte Dubrovskaya Duch Duchamp Dufty Dunbar Dunham Dunham's Dunlop Dunn Dunne Dunning Durand Durbeej Dutta Dwayne Dz Dzevad E EAA EAD EAE EAL EAS EB EBC EBS EBa EBb EBc EBd ECB ECD ECF ECH ECI ECJ ECM ECR ECS ECW EDF EDM EDS EED EEM EEP EET EFG EFW EHC EHF EHM EHS EIA EII EIT EKG ELB ELC ELP ELS ELSEVIER ELU EMC EMD EMH EMO EMS ENA ENC ENDO ENE ENM EOE EOMXCC EPB EPC EPI EPR EPS EPT EPV EQC ERC ESA ESB ESC ESD ESE ESG ESI ESM ESN ESO ESP ESS EST ETH ETOs ETS EUM EXO Ea Eberhard Ec Echenique Eckart Edaravone Edouard Eduardo Egil Egor Ei Eichler Eigenfunctions Eigenstates Eigenvectors Eilers Ek Eka Ekstr Ekstrom El Elander Electromagnetic Electronegativity Electronuclear Elena Elguero Eliav Elie Elise Elliot Elpasolites Elsevier Emanuele Emfietzoglou Emili Emilie Emin Emine Encaged Endo Endohedral Enflo Engel Engels Enrique Enthalpies Eolo Equilibria Er Eraslan Eriksen Eriksson Erkki Erko Erkoc Ermi Ermis Ermler Ern Ernzerhof Ert Erturk Esashi Ethanedione Ether Etienne Etindele Eudes Eugenio Eugeny Euristic Evan Evangelisti Evanildo Evgenii Ewa Excitons Exo Extensivity Eyring F FAC FAM FAQ FAS FAX FBA FBT FCS FCW FD FDC FDH FDN FDS FER FET FFC FGQ FHM FIE FMO FNE FNS FOC FOM FON FOPIM FPA FPC FPI FPL FPQ FPT FRC FRI FSO FSR FTA FTQ Fabio Fabrizio Fainstein Falcioni Famulari Fangqun Faraji Farca Farcau Fateh Faten Fazio Fazlul Fco Fdez Fe Federico Feinberg Feng Ferenc Feria Fermions Ferreira Ferretti Ferroelectricity Ferromagnetism Feschet Feshbach Feynman Fidrysiak Fileti Filip Firat Fishman Flisz Fliszar Floquet Flores Florian Fock Formulae Forner Foulkes Fourier Fr Fraessdorf Fragoso Francesco Franck Franti Frantisek Frapiccini Freeon Fri Fricke Friedrich Friese Fripiat Fritioff Fritzsche Frobenius Froe Froelich Froissart Frolov Fuentealba Fujimoto Fujio Fujiwara Fuke Fukui Fukushima Fukutome Fullerene Fullerenes Fumikazu Fumiyasu Fumiyoshi Functionals Funke G GBP GBW GCC GCE GCK GCM GED GEI GEN GES GGA GHF GIM GME GMM GOS GPC GPCR GQM GRT GSI GSQ GSS GSZ GTO GTOs GTT GUGA GW GaAs Gabriela Gabriella Gadre Gaia Gaigeot Galano Galassi Galv Galvan Galy Galy'nska Galynska Gandolfi Gao Garc GarciadeAbajo Garza Gasaneo Gasperich Gast Gaston Gauld Gautam Gavezzotti Ge GeO GeV Gebremedhin Geerd Geerlings Geertsen Geithner Geldart Gemeri Geminal Geminals Gen Genealogical Gengyuan Genio Gennady Genoni Georg Georgiev Gerd Gerratt Gerrit Gervasoni Gh Ghantous Ghomari Gian Gianinetti Gianturco Gidopoulos Gilary Gilon Gindensperger Giorgi Giorgio Girard Giron Giuseppe Glauciete Glazebrook Glushkov Glycine Goldstone Gompertz Gonis Gonz Gonze Goodsite Goodson Gopal Gordan Goscinski Goussev Gra Grabo Grabowski Grage Granados Grande Grandi Gras Gravielle Green's Grein Greiner Grigory Grinberg Gritsenko Groenhof Gropen Grossi Grzegorz Gu Guan Guenz Guenzburger Guerra Guglielmo Guilherme Guilin Guillaume Guillermo Gumberidze Gunnar Guo Gurtubay Gustavo Gustavsson Guti Gutierrez Gutman Gutsev Guzik Gy H HAC HB HBXYBH HCC HCE HCH HCW HDV HF HFC HFG HFR HFV HHA HHF HHH HIH HITRAP HLSP HMP HOI HPH HPHF HPL HPS HQC HRQ HRS HSAB HSN HTB HTS HVL Hadrontherapy Haeffler Hagfeldt Hagiwara Hai Haiahem Haldane Hamida Hamiltonians Han Hanna Hanssen Hanstorp Hapka Haque Harada Haritan Harmonium Harriman Hartee Hartmann Hartree Hatamoto Hattig Haugaard Havenith Havlas Haya Hayafuji Hazmi HeH Heckenberg Hedeg Heejin Hehenberger Heid Heide Heijmen Heine Helgaker Hellhammer Hellmann Helmfrid Heme Hendrik Hendzel Henne Henningsson Henrik Henriksson Heredity Heriberto Herigonte Herzain Heterostructures Hettema Hg HgI Hiberty Hideaki Hidekazu Hideki Hidenori Hideo Higashiguchi Higgins Hikaru Hinze Hirao Hirata Hiroaki Hirohide Hirohiko Hiromi Hironori Hiroshi Hiroyuki Hirschfelder Hirshberg Hisanobu Histamine Hitchman Hitoshi Hizhnyakov Hjalmars Hjortviken Hofer Hoffges Hoffmann Hoggan Hohenberg Holger Holroyd Honour Horacio Horbatsch Hoshino Hossain Hsu Hu Huang Huanming Huba Hubac Hubbard Hund Hund's Hurley Huzinaga Hy Hybertsen Hybridization Hydrogenic Hylleraas Hynes Hyperangles Hyperangular Hypergeometric Hypergolic Hyperguinones Hypermatter Hyperpolarizabilities Hyperpolarizability Hyperquantization Hypershielding Hypershieldings Hyperspherical Hypofractionation Hyunju I'Haya IAA IAS ICK ICL ICM ICO ICP ICQ ICW IDB IEE IEL IEP IFC IFD IGT IHF IHaya IMD IMI IML IMO IMS INDO INSCC INSPEC IONO IPC IPE IPL IPM IPT IQ IQM IR IRQ ISBN ISF ISO ISP ISSN IVD IWS Ia Iafrate Ib Ic Id Ida Idaboy Idan Ido Ie Igarashi Igei Ignacio Ignatenko Iguchi Ikeda Imahori Imanaga Improta InCollection Inagaki Indices Indolealkylamines Indrek Inga Ingrid Ingvar Inigo Initio Inoue Intensivity Interatomic Interelectron Internet Internuclear Interparticle Interpenetrating Intra Intramolecular Invariances Ioanna Ioannis Ionization Ireneusz Irina Isaiah Isao Ishii Ishikawa Ishizumi Isidore Isidro Ising Ismail Isobe Isoeffect Isoelectronic Isolobal Isomer Isomerism Isomers Isovalent Istv Istvan Itagaki Itano Ito Itoh Ivana Ivanov Ivar Iyengar J JBN JGC JLS JOA JRG JSS JT JTD JTE JTI JTO Jabir Jablokow Jacak Jacek Jacinto Jacobi Jacopo Jae Jahn Jaime Jakubassa Jalbout Jalkanen Janette Jangrouei Jankowski Janos Janoschek Jansen Janusz Jaramillo Javier Je Jehle Jellium Jendoubi Jens Jensen Jentschura Jeong Jeppe Jerosimi Jerosimic Jerzy Jeziorski Ji Jie Jimbo Jo Joachim Jocelyn Johanna Jonsell Jordi Jorgensen Jortner Jos Josep Jost Joudieh Jozef Ju Juana Juaristi Judd Jul Juliana Julien Jun Juraj Jyunju K KEP KGL KH KIS KLI KLi KPC KSK KXR Ka Kaasik Kadam Kaijser Kaito Kaldor Kalemos Kaline Kaltrina Kamiya Kanamaru Kanda Kaori Kaplan Kapur Kara Karasiev Karelson Karlsson Karshenboim Karwowski Katarzyna Kathir Kathmann Kato Katriel Katsuhiro Katsumi Kawai Kawakami Kawanishi Kawasaki Kazuchika Kazuki Kazuo Kazuyoshi Kazuyuki Keisuke Kell Kelterbaum Kengo Kenichi Kenji Kennerly Kentaroh Kereselidze Kert Kertesz Ket Khandker Khatmi Khetselius Khodyrev Khoma Khoudir Kieninger Kieron Kikko Kilpatrick Kimichika Kimio Kimura Kinoshita Kiraz Kishino Kiyan Kizashi Kjaergaard Klahn Klaiman Klamroth Kleinman Kleinpoppen Kleppner Klimenko Klinkm Klinkusch Klixb Klobukowski Klokishner Ko Kobe Kobus Kochanski Koga Kohn Koichi Koichiro Kolesov Kolorenc Kolos Komasa Komiya Komninos Kondo Kongsted Konrad Koo Koopmans Koppel Koptelov Korchowiec Korona Koroteev Kossel Kotani Kotochigova Kottis Koujiroh Koures Kouri Kousik Kov Kovacs Kover Kowada Kowalski Koyama Kozmutza Kr Kramers Krassimir Krause Kreibich Krieger Kristoffel Kronecker Krsti Krstic Krueger Kryachko Krzysztof Ku Kucharski Kuklja Kuleff Kumar Kumiko Kummer Kurennykh Kurihara Kuriplach Kurisaki Kuro Kurokawa Kuros Kurten Kurth Kurtz Kusnierz Kutzelnigg Kuznetsova Kuzumoto Kwan Kwang Kwi Kwiatkowski Kyriakou Kyu L LAL LAM LC LCAO LCB LCCN LCI LCMVAO LCP LCS LCX LCa LCb LDA LDC LDF LEH LES LJP LLE LMO LNP LOS LPO LQ LQC LQD LRC LRP LS LSQ LTP LaMnO LaTeX Laaksonen Labb Labzowsky Lacerda Ladik Lafifi Laguerre Lahtin Lai Lami Lan Lanczos Langenaeker Langreth Lanzardo Lao Lara Larisa Larsson Lasorne Laszlo Latorre Lattanzi Laughlin Laurens Laurenzi Lauterbach Lav Laves Lavin Lazur Lazzeretti Le LeSar Leary Leclerc Leeuwen Lefebvre Legon Leibfried Leif Lembarki Lemell Lene Lengyel Lennard Leonel Lestrange Leszczynskin Leszek Leuchs Lev Levin Lewenstein Ley Li LiAlH LiCaAlF LiH LiRb LiX Liana Liang Liaofu Liebermann Liegener Liendo Lifschitz Lijnen Liliana Lill Lin Linder Linderberg Lindgren Lindroth Lindstr Liouville Liouvillian Lipkowski Liso Lison Liu Liviu Ljungblad Lloren Lo Localizability Loges Lognon Longo Longuet Loos Lorenz Lorenzo Losa Louck Loughlin Louie Lowdin Luca Lucchese Lude Ludea Ludena Luders Ludwik Luigi Luis Luk Lund Lunell Luo Lutn Luz Lv Lykos Lyons Lyudmyla M MAL MBE MBGF MBPT MBW MCA MCD MCSCF MCSTEP MCT MCZ MDF MDP MDS MDT MDW MEC MED MEDLA MEE MEH MELVYL MEP MEQ MES MEST MFD MFE MFM MI MIB MIC MIE MIG MIM MIO MJT MLD MM MMS MO's MOC MOT MOV MP MPA MPB MPE MPL MPS MPT MPn MQE MQS MRB MRC MRM MSA MSC MSE MSO MSP MSS MST MVR Maarten Maaza Mabrouk Macetti Maciej Maciel Maclaurin Macrocyclic Madajczyk Madelung Madi Mads Maeda Magdalena Magnus Mahapatra Mahbub Mahmudul Maija Majern Majernikova Majernixccxkova Majorana Maldonado Maleonitrile Malgorzata Malik Malinovskaya Malmqvist Mammino Manaa Manabu Mancev Mani Manini Manne Manoj Manson Manuel Maquet Mara Marcel Marcelo Marcin Margenau Mariangela Mariel Marino Marius Mariusz Marko Marta Martina Martinelli Martinson Martorell Maruani Masahiko Masahiro Masao Masaru Masataka Masateru Masayoshi Masayuki Mashkantsev Masiello Masik Massaccesi Masum Mata Mateusz MathSciNet Mathar Mati Matras Matric Matsen Matsubayashi Matsumoto Matsuo Matteo Matthias Matubayasi Maurizio Mavridis Maziar Mc McLaurin McWeeny McWilliams Md MeV Medikeri Meekhof Mehler Mehmet Meier Meissner Mej Mejia Mekelleche Melek Melgaard Mendez Mennucci Mercero Mercouris Meruane Metalloporphyrins Metastable Methylamine Metin Metrology Mette Mezey Meziane Mg MgB MgO Miadokov Miao Mich Micha Michalak Michel Michl Mik Mikhail Mikhailova Mikkelsen Mikl Milagros Milojevi Milovanovi Min Minaev Minami Mineo Mineva Ming Minh Minima Minimality Mintmire Mir Miraglia Mirko Miro Mironov Miroslav Miroslaw Mirovitskii Mirzac Mishra Mitnik Mitoraj Mitsuko Mitsuo Mitsutoshi Mitxelena Miura Miyagawa Miyazaki Mizuno Mn MnO Mo MoF Moduli Mohamed Mohammad Mohn Mohr Moiseyev Molfetta Molina Moller Momicchioli Mon Moncrieff Monika Monkhorst Mono Monoclinic Monoconfigurational Monocoordinated Monohydrated Monomer Monoxide Monreal Montabonnel Montanari Monte Montenegro Morcillo Moreno Mori Morikawa Morinaga Morishita Morpurgo Morten Moshchalkov Moshe Mosley Moszy Moszynski Motapon Motohiro Motyl Moujaes Moule Mourik Mozos Mrozek Mu Muga Mui Muino Mukherjee Mukhopadhyay Mukoyama Multi Multicenter Multicharged Multiconfiguration Multiconfigurational Multielectron Multimode Multiphonon Multiphoton Multiplet Multipole Multireference Multiresolution Multiscale Munoz Muonium Murakami Muramatsu Murat Musia Musial Mussard Muttalib Myhre Mykhaylo Myung N NAE NBO NCB NCC NCD NCG NCT NCW NDM NEC NES NG NG's NH NHF NIF NIN NIV NLA NML NMP NMR NNB NO's NOA NOCV NOF NOG NP NPB NPT NPW NQB NSE NSG NSG's NSH NSO NSO's NTP Na NaEuCl NaH NaK NaSmCl Nabil Nadykto Nagy Nakagawa Nakagiri Nakai Nakajima Nakamatsu Nakamura Nakano Nakao Nakashima Nakatsugawa Nakatsuji Nakazono Nalewajski Nanba Nanna Nanoclusters Nanodosimetry Nanometer Nanoparticles Nanoplasmas Nanostructures Nanotubes Naoko Narayanasami Nasiri Natsheh Navarro Nazarov Ne Nekovee Nenad Nesbet Neshev Nghia Nguyen Ni Nicola Nicolaides Nieminen Niki Nikiforov Nikitas Nikitin Nikolaev Nikolai Nilsson Nimrod Ning Nishiyama Nitrides Nitroaniline Nitrones Nitroprusside Niyazi Noboru Nobuo Nobuyuki Noguchi Nonadditive Nonadditivity Nonadiabatic Noncanonical Nonconserved Nonconventional Noncovalent Nondegenerate Nonempirical Nonequilibrium Nonexponential Noninteracting Nonlocal Nonorthogonality Nonparametrized Nonpolar Nonrelativistic Nonrigid Nonstationary Nooijen Norbeck Nordling Northcote Noskov Nouar Nov Novoa Nuclearity Nyman O O'Leary OBA OCLC OCR OEC OEE OEP OFH OIK OKa OLeary OMC ONCV OOC OOR OPE ORM ORR OSS OTA OVC OVR Oba Ochiai Oct Oddershede Ofelia Ofir Ogasawara Ogilvie Ogletree Ogurtsov Ohama Ohmori Ohno Ohrn Ohta Ojam Oka Okino Okopi Oksana Okumu Okumura Ola Olav Ole Oleg Oliferenko Oligomers Oliva Oliveira Olivier Oller Olov Olv Omar Oncethe Onishi Onoe Onsager Oohara Oprea Orbay Orbitals Ordej Orientational Orimo Ortho Orthogonalization Orthogonalizations Orthonormality Orthonormalization Ortiz Ospadov Ossicini Ostrovsky Osvaldo Otten Ousmanou Ovchinnikov Ovchinnikova Oxonium Oxyanions Oxynitride Ozay Ozdogan P PAE PCH PCM PCP PCS PCW PEC PEDICI PEH PES PESA PH PIB PJH PJT PLL PLQ PMC PME PMP PMS PNR POH PPC PPE PPI PQC PRF PSII PSS PST PT PTE PTH PTI PTL PTT PVB Pachucki Padhy Paidarov Paidarova Palazzetti Paldus Palii Palma Palyulin Panexperiential Paolo Paragi Parallelization Parameterization Parametrization Parisa Pariser Parr Parravicini Parrinello Pasqua Pasquale Passivation Pastorczak Pastori Patel Pathak Pati Patil Patkowski Patoary Patricio Patrizia Patrycja Pauncz Pavlo Pawe Pawlowski Pb PbO Pd Pecul Peder Pederiva Pedici Peebles Pegg Peggs Peierls Pekeris Pekka Pelegrina Peluso Pendrill Peng PerOlovLowdinPub Peralta Perchlorate Percus Perdew Pereira Perera PerezdelValle Peris Permanganate Permutational Pernal Perovskite Perram Pershina Persson Perturbative Pesi Petrongolo Pettersen Peyerimhoff Phenethanolamines Phenethylamines Phenyloxirane Philemon Philippe Phillip Phonon Phosphorescence Photobiological Photodetachment Photodissociation Photodissociations Photodynamic Photoelectron Photoemission Photoexcited Photoionization Photonic Photophysics Photosystem Phys Physicochemical Physisorption Pichl Piecuch Pierdominici Piggott Pilla Pina Pinchon Pino Pinsard Pionic Piotr Pirani Piris Pisarev Pitarke Piti Plasmas Plasmon Plasmonic Plathe Plesset Plunien Pluta Podolsky Polarizabilities Polarizability Polarizable Polinger Politzer Polyacetylene Polyatomic Polyelectronic Polyene Polyenes Polymerization Polymers Polypeptides Polypyridine Polyynes Pomelli Ponce Ponra Ponterini Popelier Pople Popov Portillo Poshusta Positronic Positronium Poul Pozna Poznanski Prasanta Predissociative Predrag Premysl Pribil Privett Proft Propagator Propagators Protonated Protonation Provasi Przybytek Pseudopotentials Pt Pu Puchalski Punta Pupyshev Purine Purnendranath Puska Putikam Pyrimidine Pyykk Pyykko Q QBL QBS QC QCA QCC QCD QCE QCF QCI QCM QCN QCP QCQ QCS QCT QCW QD QDE QDL QED QEF QEO QES QGA QIM QLS QM QMA QMC QMM QMP QMS QPF QPM QSC QSP QSPR QSQ QTA QTC QTD QTR QTST QTT QTU Qiang Qing Qu Quadrupole Quantenchemie Quantisation Quarks Quasidegenerate Quasiparticle Qubits Quiney R RAC RAD RAO RAQ RAS RBC RCE RCF RCN RCP RDA RDC RDD RDE RDF RDG RDH RDL RDM RDM's RDP REC REG REM RFD RFG RFN RFS RHM RKW RLI RM RMA RMC RMI RML RMM RNA ROR RPA RPI RPV RQC RRF RRG RRR RRT RSC RSE RTB RTC RTD RTH RTI RTR RVM RVS Ra Raab Rabenold Radiationless Radiobiological Radiobiology Radiosensitivity Radiosurgery Raffaele Raghunath Rahim Rahmouni Raimondi Rajagopal Rajeev Rajesh Raman Ramasesha Ramon Randazzo Randi Randic Randolf Raofie Rashid Rasolt Rastelli Ratner Ravi Raychev Razafinjanahary Rb Rees Regioselectivity Regularization Reinen Remacle Remco Remigio Remo Renata Renner Renormalization Renormalized Rensmo Renyi Reorientations Representability Resolvent Rettrup Reu Reuschl Revcolevschi Reyes Reza Rh Rhombohedral Ri Riad Ricardo Rika Rinkevicius Ritchie Rivarola Rivera Rizzo Robb Robertsson Rodr Rodrigo Rogemond Roggero Rohmer Rolando Rolf Rom Romaniello Romero Romuald Roos Roothaan Roothaan's Ros Rosado Rosen Rosso Roszak Rototranslational Rourk RuO Ruben Rubicelia Rubinsztein Rubio Rudjer Rudolf Ruedenberg Rui Ruiz Rupert Rus Russo Rutkowska Ruud Ryaboy Rychlewski Rydberg Ryo Ryuhei Ryzhkov S SAA SAB SAC SAF SAH SAQ SAS SBC SCA SCC SCE SCF SCH SCM SCP SCS SCVB SDA SDMRG SDP SDT SEC SEI SEL SEQ SES SF SFO SFQ SFs SGC SGM SGN SHC SI SIL SIM SIWB SLH SLR SMA SMILETRAP SMN SMP SNP SOC SOE SOR SP SPC SPE SPL SPN SPR SPS SPW SPa SPb SPc SQC SQM SQS SRD SRG SRS SS SSB SSD SSE SSG SSI SSL SSM SSS STB STE STO STOs STR STT SU SUC SVB SVE SWD SWI SWT SXR Saalfrank Saalmann Sabin Sabio Sadhan Saeed Saenz Saez Saha Sahni Saito Sakai Sakir Sako Sakuma Salahub Salam Salazar Salomonson Salpeter Samanta Samantha Sampath Sandell Sandipan Sandoval Sanna Sannigrahi Santoro Sarasola Sarma Sarsa Sarzi Sason Sathyamurthy Sato Satoshi Satrajit Satyam Saue Sauer Saul Savely Sc ScB Scemama Sch Schae Schaefer Schatz Schelter Schenter Schiwietz Schl Schluter Schlyer Schmelcher Schmid Schofield Schr Schuch Schulthess Schulze Schur Schur's Schwarz ScienceDirect Scrocco Scuseria Sebasti Seel Segui Seiichi Seike Sekine Sekino Selda Selftrapping Selim Semiclassical Semidirect Semiempirical Seminario Semiquantitative Semrad Sen Senent Sep Sepp Serga Sergeev Sergei Sergey Sergiy Serguei Serotonin Serre Sevilla Seybold Seyfang Shachar Shahjahan Shaik Shakeup Shalabi Sharma Shawn Shehu Sheka Shen Sherif Sherrill Shigemi Shigenori Shigero Shigeta Shigeyuki Shimamura Shinichi Shinji Shinta Shinzato Shirai Shirin Shirozu Shoichi Shoji Shorifuddoza Shpyrko Shridhar Shuai Shubin Shugo Shuji Shusuke Shuzhi Si SiH SiN SiO Siagri Sicilia Sid Sidi Siegbahn Sigaud Sigeru Sigrid Sil Sildos Silkin Silkowski Silverstone Silvia Silvina Simone Simonetta Simons Sinc Singh Sinha Sironi Sj Sjoqvist Skaane Sklyadneva Skodje Skov Skrzy Skrzynski Skupin Skurski Slags Slanina Slicot Slupski Smeyers Smiga Smutny SnO Sobczyk Sobieraj Soff Soledad Solin Soliton Solomatin Solorza Solovay's Solute Solvation Solvejg Somorjai Sonia Sonntag Soo Sookhun Sorensen Soriano Sormann Sottile Sou Soullard Soumya Sourav Soyda Specchio Spectroscopist Sperber Spheroconal Spinors Springborg Sr Srinivasan Srivastava Stachowicz Stancil Stanica Stanis Stanislav Stanislaw Stanka Stanke Staroverov Stashans Stavrev Ste Stedman Stefano Steffen Steinborn Sten Stenger Stephan Stereochemistry Stereomolecules Stereoregular Stereoselective Stereostructure Stereotactic Sternheimer Stijn Stine Stobi Stobinska Stochastics Stohlker Stoichiometric Stokbro Stolterfoht Stopera Strutinsky Sturmian Sturmians Suard Suarez Subduction Subshell Subshells Substituents Sucher Suchitra Sueoka Sugihara Sugita Suhonen Sulik Sumner Sunao Sundholm Sunnergren Supek Superconducting Superconductivity Superconductors Supercritical Superexchange Superheavies Superheavy Superionic Superoperator Superoperators Surat Sutcliffe Suter Svanberg Sven Svetlana Svinarenko Swapan Sylvain Sylvio Symmetrized Symons Syrjanen Syunji Sz Szalay Szalewicz Szarecka Szczepan Szczepanik Szymon T TAH TAS TBC TBS TBT TCA TCE TCM TCP TDC TDCI TDD TDL TDP TDQ TDS TDT TDV TEG TEL TEO TEP TES TET TFD TFI THF TIA TID TIH TII TJT TKHS TLE TMA TMC TMN TMS TMT TNJ TNS TP TPC TPG TPP TPS TQM TRB TRS TS TSB TSC TSD TSE TSF TSI TSM TSR TSS TST TTY Ta Tableaux Tacca Tachibana Tachimori Tadahiko Tadayoshi Tadeusz Takahara Takahashi Takai Takamasa Takashi Takasuke Takayuki Takenaga Takeshi Taketo Takeuchi Taku Takugo Takumi Takushi Talin Talukder Tamaz Tamm Tanaka Taniguchi Tanja Tapia Tarrag Tartaric Tateishi Tatiana Tatsuhisa Tatsumisago Tatsuya Tatyana Taurian Tautomeric Tautomerism Tautomerization Tautomers Tchaikovskaya Tel Telhat Telyatnyk Terauchi Tergiman Ternovsky Tetra Tetramethyldiamide Tetroxide Tetsuo Tew Textbridge Tfirst Th Thakkar Thanopulos Theo Theodoros Thermochemistry Thermodynamical Thibaud Thiel Thiobase Thiol Thiouracils Thirunamachandran Tho Thom Thorndyke Thorstein Thorsteinsson Thorsten Thu Ti TiC TiO Tillmann Tino Tkach Tohru Tokarz Tokesi Tokio Tokman Tokuei Tokunaga Tokuro Tomanek Tomas Tomasi Tomasz Tomita Tomohiko Tomoko Tomonaga Tomoyuki Topiol Toro Torre Torrontegui Toscano Toschek Toshikatsu Toshio Touhara Toulouse Townes Toyohisa Tr Trassinelli Tregenna Tremblay Trickey Tronc Trond Trsic Trujillo Trygve Trzesniak Tsednee Tsogbayar Tsu Tsukerblat Tsutomu Tu Tucholska Tue Turbiner Turchi Ture Turecek Turgut Tuszynski Tz U UAS UC UCE UCF UCG UDX UEK UEW UFF UFP UGA UGF UGM UJT ULB ULD UMR UO URL USC USL USQ UT UTM UTV UV Uchida Uda Uddin Ueda Ugalde Ugo Ulf Ulrich Ultracold Ultrafast Umena Umrigar Uncoupling Univariate Unrelaxed Uppsala Uracil Uttam Uzi V VAF VAO VB VBM VE VEa VEb VIH VIJ VIM VIS VQS VRS VRT VUV Vadim Vahtras Valdemoro Valderrama Valency Valentin Valle Vallejo VanHove VanMourik Vandana Vanderavoird Vandoni Vanhove Vanossi Varga Vargas Variational Variationally Varshni Vasilios Vasily Vaska Vauthier Vayssieres Vedene Vehkam Veillard Velasco Veniard Ventura Ver Viatcheslav Vib Vibrational Vibronic Vicinal Vick Vieyra Vignale Vignesh Vijay Viktor Vilkas Vill Villani Ville Vince Vincenzo Vipin Viraht Virial Vishesha Visscher Visualisation Vitali Vitavetskaya Vivier Volkov Volodymyr Volpi Volum Vos Vosko Vriendt Vyacheslav Vykhodets W WBC WCG WDG WF WFB WKB WO WOS WPa WPb WPc WPd WWW Waalkens Waals Wahl Wakita Walther Wanuk Warschkow Watabe Watanabe Wataru Wavefunction Wavefunctions Wavepackets Waz Weatherford Wedderburn Wedderburn's Wei Weilbull Weiner Weinhold Weitao Weizs Weniger Wenjian Wenli Wentzel Weyl Wichmann Wigner Wineland Witko Witkowski Witold Wladyslawski Wo Wojciech Wolniewicz Woolley Woon WorldCat Wormer Wozniak Wrighton Wullen Wyatt Wybourne X XANES XII XIII XIV XRA XRC XRE XSC XV XVI XY Xeno Xiangzhu Xiaohu Xiaomin Xiaosong Xiaoxu Xifeng Xl Y YOS Ya Yablokov Yamabe Yamaguchi Yamamoto Yamanaka Yamashita Yaming Yan Yangyang Yannis Yaoquan Yarevsky Yasufumi Yasuharu Yasuhiko Yasui Yasuji Yasunari Yasutaka Yasuteru Yasutomo Yasuyuki Yi Yngve Yoko Yokomizo Yokoyama Yong Yoon Yoshida Yoshifumi Yoshinari Yoshinori Yoshio Yoshitaka Yoshitsune Yoshiyuki Yotov Youngmin Yu Yuan Yuichi Yuka Yukawa Yukcu Yukikazu Yukiko Yukinori Yukio Yuko Yuliya Yurchenko Yuri Yurii Yury Yusaku Yusuke Yutoh Z ZDO ZRP Zagreb Zahradn Zakhariev Zakjevskii Zakrzewski Zapol Zaremba Zbik Zden Zdenek Zefirov Zentralblatt Zerner Zhang Zhao Zhibing Zhong Zhu Ziad Zielinski Zielinskis Zientkiewicz Zilvinas Zn ZnI ZnO Zou Zr Zs Zsolt Zuchowski Zupan Zurowska Zygelman ab abbrev ac academicpress acetamide achiral ack acknowledgement acm adr advquantumchem ael aiq ajournal algebraist alloyed allref alpinist aluminium amine ane anes annote ap apcatalog arabic aromatics articleno asymptotics attochemistry attosecond aw awik az aza azabuten azolyl b ba bacteriophytochromes bbl beebe behaviour benfords bibdate bibliographystyle bibmods bibnames bibnet bibsort bibsource bio biomolecules bipolaronic bis bisphenol bo bookpages bookseries booktitle bor bro bromo bs byvolume byyear c ca camier carbonitriles carotene cgi chem chi chiral ckel cker clarke co codetable com configurational cs ctor cuprate cyclo cyclobutanone d dD das dde de deAbajo deLima dec del delValle der dergren ders di dications dinger dioctyloxyphenyl dk docstring doi downfolding dst dx e ePub eV eb ebook edu ek elefunt email er est etislav etsu evad extensivity ez f fer ffges fjournal formyl fsz fullerene g ga gbv ger gnes gorzata graphitic gren guez gvan gvk h hardback hardcover harris hbuk hl hlker homotopy hrn html http https hypergolic hyperpolarizabilities hyperquantization hyperspherical hyperthermal i ials iams ic ieee ijqc ik initio iodides ionicity ionization ionizations isospin ispell ite j john journalabr k ka kb ke keV kel ki ko kov kovi kow kowski kvac l ldea le lez lia libr libris lich lio ll llen ller lon lowdin ltx lu lvarez m mGluR markup mato membered meth miga min mo mu 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terpenes tetra tetraphenylporphyrins tetroxide tex th thier thiol titleabr toc trans tris tsu ttig twocolumn u uchowski uj uk unsrt ur urowska utah uu v vanLeeuwen vanMourik variational ven vibronic vin vivo von vonSonntag vs w wavefunction wavefunctions wc wdin www x xii xiii xiv xix xj xv xvi xvii xviii xx xxauthor xxeditor xxi xxii xxiii xxix xxnote xxpages xxtitle xxv xxvi xxvii xxviii xxx xxxi xxxiii xxxvi ya yl yu z zay zdo zef zi zt ztekin zu