ABSTR ACF ACP ACSRAL ACTA ADF ADM ADV AEC AES AET AFM AFP AFS AFYSA AHS AIP ALM ALSOS AMER AMI AMLEEL ANCHAM ANM ANMAEL APC APCPCS APPL APW AQCHA AQI ARD ARKIV ARPC ARPLAP ATA ATF AVA AW Ab Abilio Acc Achuthan Acta Adamowicz Addy Adrienn Adv Aguilar Ajith Alejandro Alexei Alkalis Alkenes Alsenoy Amer Amir Ancheyta Andr Andreas Angeles Angulo Annelies Annemie Anta Antisymmetry Antol Antonios Appendices Appl Arbman Arfken Arie Arkiv Arlinghaus Ashcroft Ashurst Asli Atav Attermeyer Au Ault Avenda Axel Ayhan Aziridines B BAM BAPS BAPSA BC BDF BF BH BIOL BOI BRB BZD Ba BaFe Badenes Baer Bagus Bal Barat Bardo Barrio Bartell Batir Batra Baumann Benachenhou Benedito Beno Bergmann Berni Bersuker Bertoncini BibTeX Bidon Bigeleisen Binkley Biopolymers Bipyramidal Blockhuys Bloor Boatz Boca Bogaerts Bogumi Bogumil Bohn Bolcer Bonchev Bottinelli Bouman Br Brandas Brandow Branscomb Brillouin Bross Brower Brueckner Bubin Buckminsterfullerene Buddhadev Bultinck Bunge Butyric Bylicki C CAE CAS CASSCF CAV CBA CBC CBR CBT CBV CCACAA CCCCAK CCE CCI CCM CCP CCS CCT CCW CEA CEB CEC CECAM CED CEG CES CF CFA CFC CFH CFM CFT CGC CH CHED CHEM CHIM CHPLBC CI CIS CIU CKS CLM CMA CMB CMC CML CMMP CMMSEM CMP CMPHC CMPa CMPb CMS CN CNF CNT CODEN COF COMM COMMUN COMP COMPUT CONDENS CONF CP CPB CPC CPHCBZ CPL CPP CRC CROAT CS CSA CSD CSF CSP CST CSV CTA CTC CTE CTM CTS CUA CUS CV CVT CWL Cabral Cabrera Cafiero Callaway Campo Canuto Carbazole Carboxylic Cardenuto Carette Carlos Carsten Catalyzed Cau Cedillo Centre Ceperley Ceulemans Chabrier Chakraborty Cham Chanal Chancey Chaney Chania Chanu Chebyshev Chemica Chemie Chenel Cheng Chimica Chiral Christoffersen Chun Ci Cl Cleanthis Clementi Co Colloque Commun Compendex Comput Conf Congr Connolly Constantin Coote Copericus Coppens Corbett Cordob Corfu Coulson Coutinho Covariant Crampin Croatica Cruz Csavinszky Cu Cubbin Cumulant Curtiss Cyclobutane Czechoslovak D DB DCC DCL DCLa DCLb DCT DDF DES DFB DFM DFS DFT DM DMB DMD DMDa DMDb DMS DNE DOI DP DPA DPF DPP DPPY DPSa DPSb DTW Daiker Dalgarno Daoud Das Daughton Davison De DeAlba DeCarlos DeCicco DeFreitas DeYonker Debajit Delabie Deleuze Delgado Delhalle Delocalization Denis Deoxy Deoxygenated Des Desclaux Desjarlais Dezsi Diagonalization Diamine Didier Diercksen Diffusivity Digamma Dilogarithms Dimitri Diplatinum Dom Dominguez Doniach Donn Dordrecht Dresselhaus Duchamp Dufty Dutta Dyson E EAC EAL EAS ECA ECB ECE ECT ECW EDH EDM EDUC EEC EEI EEM EES EFE EFI EGM EHF EHFa EHFb ELC ELSEVIER EME EMI EMM EMS EP EPC EPF ER ERC ERS ESA ESC ESCA ESCMSE ESE ESEa ESEb ESP ESR ESS ETF ETI ETO ETOs Echevarria Edmiston Eduardo Eggarter Ehrhardt Ei Eigenfunctions Elbert Electrochromism Electronegativity Eliav Elsevier Encyclopaedic Endohedrally Enrique Enthalpies Entropies Equilibria Equimolar Erd Ergonals Erkki Eschenfelder Eschenroeder Ettore Eugen Eugenio Europhysics Euwema Ewald Excitonic Exx Eyring F FAF FAX FCS FCW FEC FEH FF FHB FHF FHL FMD FMM FMO FOW FPE FRM FS FSR FTA FWQ FYSIK Fady Farrer Fco FeF FeSO Fedorenko Fermions Fernbach Ferreira Festschrift Feynman Filippo Fiorentina Flamant Fluorenone Fock Fogueri Folge Fong Formanek Fortmann Fragmentering Fragoso Francesc Freija Fri Fripiat Frisch Froese Frolov Fukuda Fullerene Fullerenes Fullereness Fulleroids Fullerol Functionals Fys Fysik G GBE GBR GFa GFb GGA GI GMQ GMR GSD GT GTO GWF Ganesan Gathy Gaussians Gautschi Gayle Geballe Geerlings Gegenbauer Geldof Gerardo Gerd Ghysels Gilat Gilda Gjergji Goidenko Gonser Gonz Goodisman Google Gorayeb Gour Grabowski Graovac Graziani Green's Guevara Guillaume Guillermo Gulzari Guseinov Guti Gutierrez Gutman Gyorffy H HAE HCW HCWa HCWb HCWc HEDP HFD HFF HFP HFS HLM HNC HPCL HTR Habitz Hagstrom Hai Hajgat Halperin Hamiltonians Hamza Hannes Harris's Hartree Hassan Haxhimali Hazi HeH HeNe Hedendahl Heer Heitler Helmuth Hendrik Heng Heptanoic Herbelin Hermann Hermitian Hern Herndon Heteroatom Heterocycles Heteronuclear Hideo Himmelblau Hinde Hinze Hiromi Hirschfelder Hoggan Hohenberg Hol Homolytic Hookean Horvati Horvatic Htain Hu Huang Hubin Hueckel Hy Hydrido Hydrogenic Hydrosilylation Hylleraas IAM IBG ICCMSE ICL ICPEAC IDR IE IEA IEC IEH IEM IEQ IET IFC IFT IJQC IJQCB IJQSDI IMACS IMB IMBa IMBb IME INSTRUM IPD IPL IPS IQM ISBN ISC ISI ISO ISSN ISTCP ITD Ignacio Igor Illas Illus Ilya InBook InCollection InProceedings Industriji Ingvar Initio Int Integro Internet Isabelle Isomer Istv Istvan J JACS JACSAT JCAMDI JCEDA JCMD JCODES JCOMEL JCPSA JCTPAH JChPh JMAPAQ JMMM JMMMDC JMMOFK JMOSB JMoSt JOPQAG JPAPEH JPCAFH JPCHAX JPCM JPCSAW JPSCAU JPhysB JPoSc JSTOR JTBIAP JVSTAL Jacek Jacquemin Jahn Jain Janak Janis Jansson Javier Jens Jepsen Jeziorski Ji Jiahao Jian Jorgensen Jos Juergen Jul Jun Jurgen K KEM KFL KIV KKR KLUWER KMgF KVANEU KVANT Kaijser Kajiya Kaldor Kaline Kambe Kara Karaka Karasiev Karlsruhe Karpien Karton Karwowski Katriel Keck Keefe Kefalidis Kekul Kemija Kemiji Ker Kerala Kets Kibler Kieninger Kieron Kirtman Kistemaker Klemm Kluwer Koelling Kohn Kolker Konski Koo Koures Kouri Kozuch Kraemer Kre Kreber Kreiger Krems Krishtal Krogh Krsti Kryachko Kumar Kundari Kvant Kyozaburo L LCAO LCB LCCN LCH LCLS LCP LEED LETT LF LNU LSCCAR LSM LaTeX Labhart Labzowsky Ladik Lafon Laguerre Laki Lalit Langhoff Langridge Larsson Lauer Lauzin Lazzeretti Leherte Leiden Lene Leonti Lerner Ley Leyssens Li LiH Liberman Lichten Lifson Lijnen Lindgren Lineberger Liouville Liu Loreau Lorenzen Los Lude Ludwik Lundin Lunell Luque Lykos M MAF MAGN MAL MARD MARN MARP MARV MARW MC MCF MCN MDS MDT MEE MES MGM MHP MIB MIE MIG MIL MIQ MKP MLE MMB MMO MMP MMS MMU MOG MOH MOL MOM MOPHAM MOS MOSa MOSb MP MPC MRclass MRnumber MRreviewer MSF MSN MSQ MST MTTCAS Maclaurin Madelung Maeda Mahalakshmi Mahan Maiti Maki Malli Mallinckrodt Mallion Malrieu Mamedov Manh Marcelo Maroulis Martina Martino Maruani Massimo Matemati MathSciNet Mathematica Matsen Mattheiss Matthias Mauricio Maxime Mc McCubbin McDiarmid McLaurin McRae Meath Meetham Megumu Meister Mej Mejia Mendez Messmer Micha Michelle Michels Michl Microeffusiometry Mihali Minh Miros Moch Moessbauer Mol MolPh Moler Mon Monkhorst Montr Morella Morini Mott Mujica Mulliken Multi Multicenter Multiconfiguration Multiconfigurational Multiresolution Murtaugh N NAC NATUAS NCCC NCS NDCX NDH NDQ NEL NHC NIE NIF NIG NLD NMN NMO NNS NRCC NTT NUM NUS NYO Nader Nahra Nakai Nakashima Nakatsuji Nanocluster Nanoclusters Nanocones Nanodroplets Nanoelectronics Nanomedicine Nanoparticles Nanophysics Nanoscience Nanotechnology Nanotubes Nazaroff Ndong Necdet Negadi Nenad Nesbet Neue Neumann Neyts Ni Nico Nicolaides Nicolais Nicolaus Nicolis Nikitin Nils Nitroaniline Nobuo Nonadditivity Noncartesian Nonequilibrium Nonorthogonal Nonrelativistic Norwell Notker Notre Nubuo O O'Keefe O'Konski OCR ODC ODEs OET OFK OKonski OPW OSO OSV Oddershede Olivier Olov Onsager Orbay Orbitals Ortenburger Orthogonalization Orthogonalized Overhof Ozmen P PBO PBOa PBOb PCB PCE PCF PCH PCI PCP PCS PDD PDE PDEs PDF PERGAMON PES PGI PGIa PGIb PHRVAO PHYS PHYSAG PHYSICA PLRAAN PLRBAQ PLane PMID POLYM PPT PPV PR PRAMANA PRAMCI PRB PRBMDO PRLTAO PROC PROLA PS PSP PT PTR PYLAAG PYLBAJ Pacifichem Palais Paldus Palo Paolo Paz PbTe Peapods Peeters Perdew Perera Pergamon Perturbative Pestka Ph PhLA PhRvA PhRvB PhRvL Phariseau PhdThesis Phillip Photodetachment Photoexcited Phung Phy PhysRev PhysRevA PhysRevB PhysRevLett Physica Physik Physikalische Piecuch Pierleoni Pinchon Piotr Piraux Pittalis Pitzer Plasmas Plasmons Plesset Pohl Poisson's Politzer Poly Polyampholytes Polyatomic Polyelectrolyte Polyelectrolytes Polygamma Polyhydroxylated Polymer Polymers Polytypes Pople Porras Positrons Potentiometric Poul Prama Pramana Predissociation Predoctoral Predrag Preprocessor Pribram Prigogine Primjena Proft Pross Pseudopotential Pseudotensors Pte Purvis Pyvib Q QA QAH QC QD QM QMB QMC QMS QSCP QTP Qi Qu Quan Quant R RAD RAPW RCB RCE RCM RCN RCT RDE REC REIDEL RFF RFM RHE RIS RLE RM RMP RMPHAT RPC RRF RRM RRP RSINAK RSO Radom Raffenetti Rajmund Ramaker Randi Randic Raoult Raoult's Rashid Raton Raubenheimer Ravindra ReaxFF Redmer Regemorter Regnard Reidel Reiner Reinhardt Reinhart Remacle Remiddi Remigio Renormalized Renuka Reschke RevModPhys Riant Ricardo Rita Robiette Rodr Rom Rotenberg Rudd Ruedenberg Ruette Runge Ruthenocene Ruzsinszky S SBE SCCCCS SCF SCHUR SCI SCIEAS SCM SCQa SCQb SCRF SCS SEP SES SFTRAN SGS SGWID SHB SHBa SHBb SICI SIF SLT SMD SNC SNT SPB SPECTROCHIM SQS SRA SS SSCOA SSCom SSI SSM SSS STO STRUCT SV SXC SYMP Sabin Sachs Sadeghi Sadgopal Safouhi Salazar Salhi Salomonson Sanibel Santry Sattler Sauer Saumon Savin Schaefer Scheire Schoen Schr Schryer Schub Schur Schuster Schwalm Schwarz Sci ScienceDirect Scitation Scolsky Seaton Seb Secrest Segal Segall Seki Sekino Semiempirical Semiexplicit Sep Sergiy Serie Shankland Sharma Shavitt Shen Shieldings Shneior Shuhua Shull Si Silico Simonetta Simons Simos Sinc Sini Sjostrom Skupova Soci Solovay's Somorjai Spectrochim Spectrochimica Spectroscopies Spheroconal Stanke Starrett Stefano Stegun Steinborn Sten Stenger Stephan Streitwieser Stukel Sturm Sturmians Stwalley Substitutional Suhai Superconductors Supercritical Superfluidity Superheavy Supersymmetric Suppl Surj Sutcliffe Sven Sylvio Symp Symposia Szabados T TCA TCACFW TCF TCHAAM TCM TCNQ TDB TDC TDF TECHNOL TEI TF TFS TFSOA THCHDM THEOR THF TPL TRANS TTF Tai Talman Tanguy Tautomeric TeX TechReport Technol Tel Temme Teorije Tersoff Tery Tetrafluoroethylene Thachuk Theor Theoret Theoretica Thewlis Tho Thu Tidjani Tnf Tomasz Tomislav Tomorr Toon Toru Torun Trans Transactinide Transcorrelated Trautwein Trickey Trifluoroacetic Trigg Trinajsti Trinajstic Trindle Trinitro Trivandrum Trujillo Truong Tsipis Tsui Tue Tulub Turbiner U URL Ugalde Ullrich Ulrich Uma Univ Uppsala UserBookDetail Uspekhi Utrecht Uzi V VAC VBC VCI VCIa VIIth VPA VPAa VPAb VPF VS VSP Vac Valentin Vancoillie Vandichel Variationally Vasilios Vedene Veillard Ventura Ver Verbist Vercauteren Vergote Verstraelen Vibronic Viers Vladimiro Vleeschouwer Vook W WDM WG WGI WWW Waals Waber Wahl Wannier Wardlaw Wavefunction Wavefunctions Weaire Weatherford Weissbluth Wepfer Wes Wesolowski Westerhoff Whitten Wiberg Winfried Woodbury WorldCat Wronskians Wybourne X XM XRS XTAL XXI XY Xe Xiaomin Y YM YR Yakar Yan Yaris Yngve Yoshimine Youngberg Yuan Yusuf Yutaka Z ZMATH ZMnumber ZPCFAX ZUArAAAAYAAJ Zanti Zbl Zeitschrift Zentralblatt Zerner Zimmermann Zivkovic Zlatko Zn ab abs ac ack acknowledgement acm acs adr adsabs advancedsearch advquantumchem af aip aipcp aiq aise ajournal ajp al ams ancham annualreviews annurev antiferromagnets applnummath approximants apps apr aps articleno aspx atam au aug avs aw b baps bec beebe bibdate bibmods bibnames bibnet bibsort bibsource biomolecules bjournal bkid bookpages bookseries booktitle bs buckminsterfullerene butanol byyear c camier carbonyls carboxylic carnet cas catdir cattobib ccCA ccacaa cccc cgi ch chainlike chemphys ckel clarke co codetable collisional com comjournalfinder commatsci compphyscomm conf conjointness convacc corpsource cosmochronology cplett crcpress crossref cv cyclopentadienyl cyclopentadienylcarboxylate cz d de dec degruyter del der des dilogarithm dinger dinger's dirac dk docs docstring docview doi dx e eV eblib ed edu effet eid eigenfunctions ek electronegativity electrophilicities elefunt elsevier email enamine ence endohedral eprint er escholarship europhysicsnews exosolar ey f feb ferricyanide ferrocene fjournal foer formulae fr fsz ftx fuer fullerener fullerenes fulltext functionals fy fysik gadi gej geois gnes google gov guez h hal hardcover harris harvard helicene heptanoic heteronuclear homonuclear hr hrn html http https hydrodesulfurization hydrosilylation hypervirial i id ijqc iminium imir initio integrands internationale interparticle interscience iop iopscience isbn isoelectronic isomerization isomers issn ivkovi j ja jacsat jan jceda jcomputphys jcp jcph jcpsa jenson jmapaq jmathphys jmp john journalabr journaldatabase journaldephysique journalfinder journalissues jp jpages jpcafh jpchax jphyscol jstor jul jun jvst k ka karlsruhe kvant kvk l l'effet les lez lfet ller lncse loc loi lon lowdin ltx m mathcomp mathematica mathscinet mcom meetingname ment merocyanine microhartrees msri multi n nanomaterials nanophotonics nanophysics nanorobotics nanowires nationalmeetings nchez nd ndas ndez nez ng nguez nhfb nl noncyclic nondynamical nonempirical nonrelativistic nonsingular norman nos nov nrcresearchpress numana numpages o oclc oct ojs oldenbourg oligomers olov online onlinedate onlinelibrary orbitals org ouvertes p pS pagecount pc pdf peac pentacyanide pg php physchem physicstoday pii pnas polyelectrolytes polymerizations polymers pp pra prb prl programarchive prola proline proquest protonation pubcountry publicfullrecord pyrrolyl qTYrAAAAYAAJ qtp r rd recognised rence representability rept ressign revmodphys rez rgen rgensen rling rmp rrez rsc rsi ru s sch sci sciencedirect sciencemag scitation sep seriestableofcontents shorttableofcontents showtags slac sltrib spiropyran springerlink ss ssbauer st stanford stenger ster stereoregular supp sur sw t tableofcontents tandfonline ter tex tf th tmph toc trigonometric u ubka uc ufl ufn uni unsrt uochb url utah v vol vs wavefunctions wavefuntions wc wdin wdin's webofknowledge wiley wlu worldscientific www x xii xiii xiv xix xlvi xml xv xvi xvii xviii xxISBN xxISSN xxaddress xxbooktitle xxeditor xxi xxii xxisbn xxpages xxpublisher xxtitle xxvi xxvolume xxxix z zb zmath zmen zpch zs zsi