preface - university of british columbia

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Preface Published online 6 July 2009 in Wiley InterScience (www.interscience.wiley.com). DOI 10.1002/qua.22380 This volume collects 30 selected papers from the scientific contributions presented at the Sixth Con- gress of the International Society for Theoretical Chem- ical Physics (ISTCP-VI), held in Vancouver, British Columbia, Canada, in July 19 –24, 2008. Nearly 400 scientists from 36 countries attended the meeting, discussing the state of the art, new trends, and future evolution of theories, methods, and applica- tions. The Congress took place on the beautiful campus of the University of British Columbia (UBC), set in a spacious park at the western tip of Vancouver, BC, overlooking the Pacific Ocean, in premises en- dowed with the latest multimedia equipment. We are grateful to all oral speakers and poster present- ers for making this meeting a stimulating experi- ence. This Congress also marked two special occa- sions for two great scientists of our time, the 70th birthday of Professor Ernest R. Davidson and the 65th birthday of Professor John P. Perdew. The International Society for Theoretical Chemical Physics (ISTCP) was founded in 1990 by Professor Ja ´nos Ladik at the University of Erlangen, Ger- many, together with other prominent scientists. Its aim is to promote theoretical developments on problems at the frontier between physics and chem- istry. The Society involves an Honorary Board and a Board of Directors gathering 60 of the finest sci- entists in the fields of Theoretical Chemistry and Physics (including four Nobel Prize laureates and two Wolf Prize winners), and a Board of national representatives for about 30 countries. The current President (as of July 2007) is Professor Erkki J. Bra ¨ndas, from Uppsala University, Sweden, an Ed- itor-in-Chief of the International Journal of Quantum Chemistry (IJQC). The Vancouver congress followed the format es- tablished at the five previous meetings, which were organized by Ramon Carbo-Dorca at Girona (Spain) in June to July 1993, Sean P. McGlynn at New Orleans (LA, USA) in April 1996, Miguel Cas- tro at Mexico City (DF, Mexico) in November 1999, Jean Maruani at Marly-le-Roi (Paris, France) in July 2002, and Peter Politzer again at New Orleans (LA, USA) in July 2005. The proceedings of these con- gresses were published mostly in special issues of the International Journal of Quantum Chemistry (IJQC) and partly in special volumes of Progress in Theoretical Chemistry and Physics (PTCP). These meetings created a forum for open discussion, ex- change of ideas, and cooperation on theories, meth- ods, and applications. Details of the Vancouver con- gress can be found on the web page: http:// www.chem.ubc.ca/istcp6. Theoretical Chemical Physics encompasses a broad spectrum of sciences, in which scientists of different extractions and aims jointly place special emphasis on theoretical methods in pure and applied chem- istry and physics. Topics of general interest were presented by prominent members of the scientific community in 11 early morning and afternoon Con- gress Lectures addressed to the entire congress, while more specialized topics were gathered into 15 parallel symposia held, after coffee break, in nine different rooms of three neighboring buildings, each addressing a different aspect of the field, namely (in nonchronological order): 1. Statistical Mechanics 2. Molecular Dynamics 3. Quantum Theory 4. Density Functional Theory (DFT) 5. Orbital-Free DFT 6. Coupled-Cluster Theory 7. Spectroscopy 8. Quantum Monte-Carlo Methods 9. Computational Materials Science International Journal of Quantum Chemistry, Vol 109, 3143–3144 (2009) © 2009 Wiley Periodicals, Inc.

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Page 1: Preface - University of British Columbia

Preface

Published online 6 July 2009 in Wiley InterScience (www.interscience.wiley.com).DOI 10.1002/qua.22380

This volume collects 30 selected papers from thescientific contributions presented at the Sixth Con-gress of the International Society for Theoretical Chem-ical Physics (ISTCP-VI), held in Vancouver, BritishColumbia, Canada, in July 19–24, 2008. Nearly 400scientists from 36 countries attended the meeting,discussing the state of the art, new trends, andfuture evolution of theories, methods, and applica-tions.

The Congress took place on the beautiful campusof the University of British Columbia (UBC), set in aspacious park at the western tip of Vancouver, BC,overlooking the Pacific Ocean, in premises en-dowed with the latest multimedia equipment. Weare grateful to all oral speakers and poster present-ers for making this meeting a stimulating experi-ence. This Congress also marked two special occa-sions for two great scientists of our time, the 70thbirthday of Professor Ernest R. Davidson and the65th birthday of Professor John P. Perdew.

The International Society for Theoretical ChemicalPhysics (ISTCP) was founded in 1990 by ProfessorJanos Ladik at the University of Erlangen, Ger-many, together with other prominent scientists. Itsaim is to promote theoretical developments onproblems at the frontier between physics and chem-istry. The Society involves an Honorary Board anda Board of Directors gathering 60 of the finest sci-entists in the fields of Theoretical Chemistry andPhysics (including four Nobel Prize laureates andtwo Wolf Prize winners), and a Board of nationalrepresentatives for about 30 countries. The currentPresident (as of July 2007) is Professor Erkki J.Brandas, from Uppsala University, Sweden, an Ed-itor-in-Chief of the International Journal of QuantumChemistry (IJQC).

The Vancouver congress followed the format es-tablished at the five previous meetings, which wereorganized by Ramon Carbo-Dorca at Girona(Spain) in June to July 1993, Sean P. McGlynn at

New Orleans (LA, USA) in April 1996, Miguel Cas-tro at Mexico City (DF, Mexico) in November 1999,Jean Maruani at Marly-le-Roi (Paris, France) in July2002, and Peter Politzer again at New Orleans (LA,USA) in July 2005. The proceedings of these con-gresses were published mostly in special issues ofthe International Journal of Quantum Chemistry(IJQC) and partly in special volumes of Progress inTheoretical Chemistry and Physics (PTCP). Thesemeetings created a forum for open discussion, ex-change of ideas, and cooperation on theories, meth-ods, and applications. Details of the Vancouver con-gress can be found on the web page: http://www.chem.ubc.ca/istcp6.

Theoretical Chemical Physics encompasses a broadspectrum of sciences, in which scientists of differentextractions and aims jointly place special emphasison theoretical methods in pure and applied chem-istry and physics. Topics of general interest werepresented by prominent members of the scientificcommunity in 11 early morning and afternoon Con-gress Lectures addressed to the entire congress,while more specialized topics were gathered into 15parallel symposia held, after coffee break, in ninedifferent rooms of three neighboring buildings,each addressing a different aspect of the field,namely (in nonchronological order):

1. Statistical Mechanics2. Molecular Dynamics3. Quantum Theory4. Density Functional Theory (DFT)5. Orbital-Free DFT6. Coupled-Cluster Theory7. Spectroscopy8. Quantum Monte-Carlo Methods9. Computational Materials Science

International Journal of Quantum Chemistry, Vol 109, 3143–3144 (2009)© 2009 Wiley Periodicals, Inc.

Page 2: Preface - University of British Columbia

10. Modelling of Materials and Processes in FuelCells

11. Surfaces, Interfaces, and Nanosystems12. AttoScience13. Coherent Control and Ultracold Chemistry14. BioMedical Sciences

In addition, there was a special symposium inhonor of Professor Ernest R. Davidson for his 70thbirthday. There were also three poster sessionsgathering 64 poster presentations, held in the spa-cious atrium of the Life Sciences Building. We hadalmost 290 world-renowned researchers from bothacademia and industry as our honored speakers,who delivered about 300 talks. To our amazement,there were altogether nearly 400 registered partici-pants from 36 countries, which made this confer-ence the biggest ISTCP Congress so far. This was, ofcourse, largely due to the hard work of all sympo-sium organizers (whose names are shown on theconference web page). Without their input (includ-ing webpage management by Dr. Enrico Purisimaat NRC-BRI), ISTCP-VI would not have been assuccessful as it was.

Quantum methods play an essential role in The-oretical Chemical Physics and it is not surprisingthat the largest number of contributions in thiscongress, as in the previous ones, bore on quantumchemistry and physics. The papers selected to ap-pear in these proceedings range in six very broad

titles: Theories, Methods, Properties, Processes, Ma-terials, and Biosystems.

We are pleased to acknowledge the supportgiven to the Vancouver congress by the Universityof British Columbia, the Department of Chemistryof UBC, the New Jersey Center for Biomaterials, theCRC Press (Taylor & Francis Group), the Amster-dam Density Functional (ADF) Group, and the Cen-tre de Mecanique Ondulatoire Appliquee (CMOA).The generous contributions of our sponsors haveenabled us to maintain the high-quality standard ofthis ISTCP meeting.

Locally, many members of the Department ofChemistry of UBC, especially Professor Mark Tha-chuk and Mr. Steven Hepperle, have offered theirvaluable assistance in organizing the meeting. Weare particularly grateful to Ms. Sara Dick, who hasworked on all the aspects of the local arrangementson the campus through the office of Conferencesand Accommodation at UBC. Also, Ms. Bev Evansdeserves our deepest appreciation for her highlyefficient handling of the monetary affairs of thismeeting by taking care of all registration checks andwire transfers.

Finally, we hope that the readers will find asmuch interest in consulting these proceedings asthe participants in attending the Congress.

Yan Alexander WangErkki J. Brandas

Jean Maruani

PREFACE

3144 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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List of Participants

Published online 6 July 2009 in Wiley InterScience (www.interscience.wiley.com).DOI 10.1002/qua.22379

Erik AbrahamssonDepartment of Physics and AstronomyUniversity of British Columbia6224 Agricultural RoadVancouver, BCCanadaE-mail: [email protected]

Carlo AdamoEcole Nationale Superieure de Chimie de ParisLECA/ENSCP 11Rue Pierre et Marie CurieParisFranceE-mail: [email protected]

Saman AlaviDepartment of ChemistryUniversity of Ottawa017 Marion BuildingOttawa, OntarioCanadaE-mail: [email protected]

Syed Tahir AliInstitut fur ChemieKarl-Franzens-Universitat GrazHeinrichstrasse 288010 GrazAustria;Laudongasse 3/308020 GrazAustriaE-mail: [email protected]

Toby W AllenDepartment of ChemistryUniversity of California at DavisOne Shields AvenueDavis, CAUSAE-mail: [email protected]

Alain AllouchePIIM—CNRS and Universite de ProvenceCampus de Saint JeromeService 24213397 Marseille cedex 20FranceE-mail: [email protected]

Stuart AlthorpeDepartment of ChemistryUniversity of CambridgeLensfield RoadCambridgeUnited KingdomE-mail: [email protected]

Jose Enrique AlvarellosDepartment Fisica FundamentalUNED, Facultad de CienciasPaseo Senda del Rey 9MadridSpainE-mail: [email protected]

Amity AndersenAccelrys, Inc.10188 Telesis Court #100San Diego, CAUSAE-mail: [email protected]

James AndersonDepartment of ChemistryPennsylvania State University104 Chemistry BuildingUniversity Park, PAUSAE-mail: [email protected]

Janos AngyanEMQC, LCM3B, Nancy-University & CNRSB.P. 239Vandoeuvre-les-NancyFranceE-mail: [email protected]

International Journal of Quantum Chemistry, Vol 109, 3145–3170 (2009)© 2009 Wiley Periodicals, Inc.

Page 4: Preface - University of British Columbia

Jochen AutschbachDepartment of ChemistryState University of New York at Buffalo312 NSCBuffalo, NYUSAE-mail: [email protected]

Ilya AverbukhWeizmann Institute of ScienceRehovotIsraelE-mail: [email protected]

Evert Jan BaerendsVrije UniversiteitDe Boelelaan 1083AmsterdamThe NetherlandsE-mail: [email protected]

Rod BartlettQuantum Theory ProjectUniversity of FloridaPO Box 118435Gainesville, FLUSAE-mail:[email protected]

Dieter BauerMax Planck Institute for Nuclear PhysicsSaupfercheckweg 1HeidelbergGermanyE-mail: [email protected]

Axel BeckeDepartment of ChemistryDalhousie UniversityHalifax, NSCanadaE-mail: [email protected]

Peter BergFaculty of ScienceUniversity of Ontario Institute of Technology2000 Simcoe Street NOshawa, ONCanadaE-mail: [email protected]

Isaac BersukerThe University of Texas at Austin1 University Station A5300Austin, TXUSAE-mail: [email protected]

Allan BertramDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Sergey BezrukovNational Institutes of Health9000 Rockville PikeBldg. 9, Room 1N-124BBethesda, MDUSAE-mail: [email protected]

Dan BizzottoAMPEL 342, Department of ChemistryUniversity of British ColumbiaVancouver, BCCanadaE-mail: [email protected]

John BohnJILA, University of ColoradoUCB 440Boulder, COUSAE-mail: [email protected]

Peter Bolhuisvan ’t Hoff Institute for Molecular ScienceUniversity of AmsterdamNieuwe Achtergracht 166Amsterdam, North HollandThe NetherlandsE-mail: [email protected]

Massimo BoninsegniDepartment of PhysicsUniversity of AlbertaRoom #238 CEB, 11322-89 AvenueEdmonton, ABCanadaE-mail: [email protected]

Weston BordenDepartment of ChemistryUniversity of North TexasBox 305070Denton, TXUSAE-mail: [email protected]

LIST OF PARTICIPANTS

3146 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

Page 5: Preface - University of British Columbia

Richard BowlesDepartment of ChemistryUniversity of Saskatchewan110 Science PlaceSaskatoon, SKCanadaE-mail: [email protected]

Russell BoydDepartment of ChemistryDalhousie UniversityHalifax, Nova ScotiaCanadaE-mail: [email protected]

Ksenia BravayaDepartment of ChemistryLomonosov Moscow State University1/3 Leninskiye goryMoscowRussiaE-mail: [email protected]

Ewa BroclawikInstitute of CatalysisPolish Academy of SciencesNiezapominajek 8KrakowPolandE-mail: [email protected]

Alexandre BroloDepartment of ChemistryUniversity of VictoriaP.O. Box 3065Victoria, BCCanadaE-mail: [email protected]

Paul BrumerDepartment of ChemistryUniversity of Toronto, 80 St. George StreetToronto, ONCanadaE-mail: [email protected]

Erkki BrandasDepartment of Quantum ChemistryUppsala UniversityBox 518UppsalaSwedenE-mail: [email protected]

Rosa Eleonore BuloVrije UniversiteitDe Boelelaan 1083AmsterdamThe NetherlandsE-mail: [email protected]

Kieron BurkeDepartment of ChemistryUC Irvine1120 Natural Sciences IIIrvine, CAUSAE-mail: [email protected]

Michel CaffarelCNRS and Universite de ToulouseIRSAMC 118 route de NarbonneToulouseFranceE-mail: [email protected]

Patrizia CalaminiciCINVESTAVChemistry DepartmentAvenida Instituto Politecnico Nacional 2508Mexico City, DFMexicoE-mail: [email protected]

Charles T. CampbellChemistry DepartmentUniversity of WashingtonBox 351700Seattle, WAUSAE-mail: [email protected]

Marco CaricatoGaussian, Inc.340 Quinnipiac StreetWallingford, CTUSAE-mail: [email protected]

Stephane CarniatoLaboratoire de Chimie-Physique Matiere et

rayonnement11, Rue Pierre et Marie CURIEParisFranceE-mail: [email protected]

Jennifer CarvajalTexas A&M University1701 Anderson St. Apt. CCollege Station, TXUSAE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3147

Page 6: Preface - University of British Columbia

Olga CastellanoPDVSA-INTEVEPSur 2. SS. oficina 3-27. Gerencia de residuales y

pesados. Urb. Santa Rosa. Bajada el Tambor.Los Teques, MirandaVenezuelaE-mail: [email protected]

Miguel CastroFacultad de QuímicaUniversidad Nacional Autonoma de Mexico, Cd.

UniversitariaCircuito Interior s/nMexicoE-mail: [email protected]

David CeperleyUniversity of Illinois Urbana-Champaign1110 W Green St.Urbana, ILUSAE-mail: [email protected]

Grzegorz ChalasinskiUniversity of Warsawul. Pasteura 1WarszawaPolandE-mail: [email protected]

Hue Sun ChanDepartments of Biochemistry and Molecular

GeneticsUniversity of Toronto1 King’s College Circle, MSB 5207Toronto, ONCanadaE-mail: [email protected]

Eric CharronUniversity PARIS SUD–CNRSLaboratoire de PhotoPhysique Moleculaire

(LPPM)Batiment 210ORSAY cedexFranceE-mail: [email protected]

Thomas CheathamUniversity of Utah2000 East, 30 South, Skaggs 201Salt Lake City, UTUSAE-mail: [email protected]

Aicheng ChenLakehead University955 Oliver RoadThunder Bay, ONCanadaE-mail: [email protected]

GuanHua ChenThe University of Hong KongPokfulam RoadHong KongE-mail: [email protected]

Yakun ChenDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Zhida ChenPeking UniversityBeijingChinaE-mail: [email protected]

Jang-Duck ChoiKorea Food and Drug Administration194 Tongil-ro, Eunpyung-GuSeoulSouth KoreaE-mail: [email protected]

Del ChongDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Keng Chang ChouDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Aurora ClarkWashington State UniversityP. O. Box 644630Pullman, WAUSAE-mail: [email protected]

LIST OF PARTICIPANTS

3148 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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Marc-Olivier CoppensIsermann Department of Chemical and Biological

EngineeringRensselaer Polytechnic InstituteTroy, NYUSAE-mail: [email protected]

Pietro CortonaEcole Centrale Paris - Laboratoire SPMSGrande Voie des VignesChatenay-MalabryFranceE-mail: [email protected]

Michel CoteDepartement de physiqueUniversite de MontrealPavillon Roger-GaudryC.P. 6128, succ. Centre-villeMontreal, QCCanadaE-mail: [email protected]

Daniel CrawfordDepartment of ChemistryVirginia Tech107 Davidson HallBlacksburg, VAUSAE-mail: [email protected]

Timothe CroteauDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Javier CuervoDepartment of ChemistryUniversity of Alberta11227 Saskatchewan DriveEdmonton, ABCanadaE-mail: [email protected]

Qiang CuiUniv. Wisc. Madison1101 University AveMadison, WIUSAE-mail: [email protected]

Alexander DalgarnoHarvard-Smithsonian Center for Astrophysics60 Garden StreetCambridge, MAUSAE-mail: [email protected]

Le H. DaoUniversity of QuebecINRS-Energy Materials Telecommunication1650 Boulevard Lionel-BouletVarennes, QCCanadaE-mail: [email protected]

Ernest DavidsonDepartment of ChemistryUniversity of WashingtonMailstop 351700Seattle, WAUSAE-mail: [email protected]

Alex DavisBallard Power Systems9000 Glenlyon PkwyBurnaby, BCCanadaE-mail: [email protected]

Aurelien de la LandeInstitute of Biocomplexity and InformaticsDepartment of ChemistryUniversity of Calgary2500 University Drive NWCalgary, ABCanadaE-mail: [email protected]

Jesus S. DehesaFacultad de CienciasUniversity of GranadaAvda. Fuentenueva s/nGranadaSpainE-mail: [email protected]

Luigi Delle SiteMax-Planck-Institute for Polymer ResearchPO Box 3148MainzGermanyE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3149

Page 8: Preface - University of British Columbia

Merlina DelorinoColegio de San Juan de Letran-CalambaBucal, Calamba CityLagunaPhilippinesE-mail: [email protected]

Gino DiLabioNational Institute for NanotechnologyNational Research Council of Canada11421 Saskatchewan DriveEdmonton, ABCanadaE-mail: [email protected]

Neil DrummondCavendish LaboratoryUniversity of CambridgeJ. J. Thomson AvenueCambridge, CambridgeshireEnglandE-mail: [email protected]

Fernanda DuartePontificia Universidad Catolica de ChileAvenida Vicuna Mackenna #4860Macul, Casilla 306 Correo 22Santiago, Region MetropolitanaChileE-mail: [email protected]

Patrick DuffyDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Olivier DulieuLaboratoire Aime CottonCNRS, Bat. 505Universite Paris-SudOrsayFranceE-mail: [email protected]

Barry DunietzDepartment of ChemistryUniversity of Michigan930 North UniversityAnn Arbor, MIUSAE-mail: [email protected]

Alasdair Dunlap-SmithMount Allison University152 Main StreetSackville, NBCanadaE-mail: [email protected]

Michel DupuisPacific Northwest National LaboratoryBattelle Blvd., P.O. Box 999Richland, WAUSAE-mail: [email protected]

Michael EikerlingDepartment of ChemistrySimon Fraser University8888 University DriveBurnaby, BCCanadaE-mail: [email protected]

Ilya ElfimovThe Advanced Materials and Process Engineering

Laboratory (AMPEL)University of British ColumbiaBrimacombe Building, 2355 East MallVancouver, BCCanadaE-mail: [email protected]

Ephraim EliavSchool of Chemistry Tel-Aviv UniversityRamat AvivTel AvivIsraelE-mail: [email protected]

Matthias ErnzerhofDepartment of ChemistryUniversity of MontrealC.P. 6128, Succursale AMontreal, QCCanada H3C 3J7E-mail: [email protected]

Francesco EvangelistaCenter for Computational ChemistryDepartment of ChemistryUniversity of Georgia, 1004 Cedar St.Athens, GAUSAE-mail: [email protected]

LIST OF PARTICIPANTS

3150 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

Page 9: Preface - University of British Columbia

Jose Faraldo-GomezMax Planck Institute of BiophysicsMax von Laue Strasse 3Frankfurt am MainGermanyE-mail: [email protected]

Ji Kang FengInstitute of Theoretical ChemistryJilin University, Jiefang Road No. 119Changchun, JilinChinaE-mail: [email protected]

Michael FilatovUniversity of GroningenNijenborgh 4GroningenThe NetherlandsE-mail: [email protected]

Charlotte FischerVanderbilt UniversityNIST, 401 King Farm Blvd., Apt 402Rockville, MDUSAE-mail: [email protected]

Robert ForreyPenn State UniversityBerks CampusReading, PAUSAE-mail: [email protected]

Alejandro Antonio FrancoCEA (Atomic Energy Commision of

France)/LITEN/Department of HydrogenTechnologies/PEFC Components Lab

CEA-GrenobleDRT/LITEN/DTH/LCPEMBatiment C2-Piece 41817 rue des Martyrs-38000 GrenobleIsereFranceE-mail: [email protected]

Bretislav FriedrichFritz Haber Institute of the Max Planck SocietyFaradayweg 4-6BerlinGermanyE-mail: [email protected]

Yosuke FukuyamaNissan Motor Co., Ltd.135 East Nittany Ave.Apt. #706State College, PAUSAE-mail: [email protected]

Filipp FurcheDepartment of ChemistryUC Irvine, 1102 Natural Sciences IIIrvine, CAUSAE-mail: [email protected]

Jiali GaoUniversity of Minnesota207 Pleasant StreetSE, Minneapolis, MNUSAE-mail: [email protected]

Yi Qin GaoTexas A&M UniversityCollege Station, TXUSAE-mail: [email protected]

Carlos Garcia-CerveraMathematics DepartmentUCSBSanta Barbara, CAUSAE-mail: [email protected]

Klaas Johannes Hendrikus GiesbertzVU UniversityDe Boelelaan 1083Amsterdam, Noord HollandThe NetherlandsE-mail: [email protected]

Peter GillResearch School of ChemistryAustralian National UniversityCanberra, ACTAustraliaE-mail: [email protected]

William A. Goddard IIICalifornia Institute of Technology139-74 CaltechPasadena, CAUSAE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3151

Page 10: Preface - University of British Columbia

Andreas GoerlingUniversity of Erlangen-NurembergLehrstuhl fuer Theoretische ChemieEgerlandstr. 3ErlangenGermanyE-mail: [email protected]

Jiangbin GongNational University of Singapore2 Science Drive 3SingaporeE-mail: [email protected]

Yinhan GongNational University of SingaporeBlk 696, #06-59, Jurong West Central 1SingaporeE-mail: [email protected]

David J. GonzalezDepartamento de Fisica TeoricaFacultad de CienciasUniversidad de ValladolidC/ Prado de la Magdalena s/nValladolidSpainE-mail: [email protected]

Eduardo GonzalezUniversidad Autonoma de PueblaAv. San Claudio y Rio VerdeCol. San ManuelCiudad UniversitariaPueblaMexicoE-mail: [email protected]

Luis E. GonzalezDpto. Fisica TeoricaUniversidad de ValladolidPrado de la Magdalena s/nValladolidSpainE-mail: [email protected]

Paola Gori-GiorgiLaboratoire Chimie TheoriqueCNRS and University Paris VI5, Place JussieuParisFranceE-mail: [email protected]

Edward GrantDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Vicki GrassianThe University of Iowa244 IATLIowa City, IAUSAE-mail: [email protected]

Jeffrey GreeleyArgonne National Laboratory9700 S. Cass Ave.Argonne, ILUSAE-mail: [email protected]

Chris GreeneJILAUniversity of ColoradoBoulder, COUSAE-mail: [email protected]

Gerrit GroenenboomTheoretical ChemistryInstitute for Molecules and MaterialsToernooiveld 1NijmegenThe NetherlandsE-mail: [email protected]

Markus GuehrStanford University / SLACVarian Physics Bldg. 382 Via Pueblo MallStanford, CAUSAE-mail: [email protected]

Marina GuenzaChemistry DepartmentUniversity of OregonEugene, ORUSAE-mail: [email protected]

Steven GwaltneyMississippi State UniversityBox 9573Mississippi State, MSUSAE-mail: [email protected]

LIST OF PARTICIPANTS

3152 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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Sharon Hammes-SchifferDepartment of ChemistryPennsylvania State University104 Chemistry BuildingUniversity Park, PAUSAE-mail: [email protected]

Ke-Li HanDalian Institute of Chemical PhysicsChinese Academy of SciencesZhongshan Road 457Dalian, LiaoningChinaE-mail: [email protected]

John HarklessHoward University525 College St., NWWashington, DCUSAE-mail: [email protected]

Robert HarrisDepartment of ChemistryUniversity of California at BerkeleyBerkeley, CAUSAE-mail: [email protected]

Andreas HauserInstitute of Experimental PhysicsGraz University of TechnologyPetersgasse 16Graz, SteiermarkAustriaE-mail: [email protected]

Martin Head-GordonDepartment of ChemistryUniversity of California#1460Berkeley, CAUSAE-mail: [email protected]

John HepburnOffice of VP ResearchUniversity of British Columbia6328 Memorial Rd.Vancouver, BCCanadaE-mail: [email protected]

Steven HepperleDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

John HerbertDepartment of ChemistryOhio State University100 W. 18th Ave.Columbus, OHUSAE-mail: [email protected]

Kersti HermanssonUppsala UniversityMaterials ChemistryThe Angstrom Laboratory, Box 538S-75121 UppsalaSwedenE-mail: [email protected]

Felipe HerreraDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Kimihiko HiraoUniversity of Tokyo7-3-1 HongoTokyoJapanE-mail: [email protected]

So HirataUniversity of FloridaNPB 2326, Quantum Theory ProjectGainesville, FLUSAE-mail: [email protected]

Philip HogganUniversite Clermont II24 avenue des LandaisClermont FerrandAuvergneFranceE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3153

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Klaus HojbjerreDepartment of Physics and AstronomyUniversity of AarhusNy Munkegade, Bld. 1520Aarhus C.DenmarkE-mail: [email protected]

Chao-Ping Hsu (Cherri)Institute of ChemistryAcademia Sinica128 Sec.2 Academia Rd.Nankang, TaipeiTaiwanE-mail: [email protected]

Jeremy HutsonDepartment of ChemistryUniversity of DurhamDurhamUnited KingdomE-mail: [email protected]

Sumio IijimaMeijo University1-501, Shiogamaguchi, TenpakuNagoya, AichiJapanE-mail: [email protected]

Levent InciDepartment of ChemistryUniversity of Saskatchewan110 Science PlaceSaskatoon, SKCanadaE-mail: [email protected]

Tomohiko IshiiFaculty of EngineeringKagawa University, 2217-20, HayashichoTakamatsu, KagawaJapanE-mail: [email protected]

Mikhail IvanovNational Research Council100 Sussex Dr. rm 2069Ottawa, ONCanadaE-mail: [email protected]

Srinivasan IyengarIndiana University800 E. Kirkwood Ave.Bloomington, INUSAE-mail: [email protected]

David JackUBC Okanagan3333 University WayKelowna, BCCanadaE-mail: [email protected]

Timo JacobUniversity of UlmAlbert-Einstein-Allee 47UlmGermanyE-mail: [email protected]

Sajid JahangirKarl-Franzens Universitat GrazNeubaugasse 66-1-3Graz 8020AustriaE-mail: [email protected]

Andrzej JarzeckiCity University of New YorkBrooklyn College2900 Bedford Ave.Brooklyn, NYUSAE-mail: [email protected]

Gregory JerkiewiczQueen’s University90 Bader LaneKingston, ONCanadaE-mail: [email protected]

Erin JohnsonDepartment of ChemistryDuke UniversityDurham, NCUSAE-mail: [email protected]

Rajiv KaliaUniversity of Southern California3651 WATT WAY VHE 614Los Angeles, CAUSAE-mail: [email protected]

Mihaly KallayDepartment of Physical Chemistry and Materials

ScienceBudapest University of Technology and

EconomicsP.O. Box 91BudapestHungaryE-mail: [email protected]

LIST OF PARTICIPANTS

3154 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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Malvin KalosLawrence Livermore National Laboratory7000 East AvenueLivermore, CAUSAE-mail: [email protected]

Jakub KaminskiUniveristy of GenevaScience II, 30 Quai Ernest AnsermetGenevaSwitzerlandE-mail: [email protected]

Felix KannemannDepartment of ChemistryDalhousie University6274 Coburg St.Halifax, Nova ScotiaCanadaE-mail: [email protected]

Raymond KapralUniversity of Toronto80 St. George St.Toronto, ONCanadaE-mail: [email protected]

Henry KapteynJILA, University of Colorado440 UCBBoulder, COUSAE-mail: [email protected]

Kunal KaranQueen’s-RMC Fuel Cell Research Centre945 Princess StreetKingston, ONCanadaE-mail: [email protected]

Mikko KarttunenUniversity of Western Ontario1151 Richmond St. NorthLondon, ONCanadaE-mail: [email protected]

Jun KawaiKyoto UniversityDepartment of Materials Science and EngineeringSakyo-ku, KyotoJapanE-mail: [email protected]

u.ac.jp

Yoshiyuki KawazoeInstitute for Materials ResearchTohoku UniversitySendaiJapanE-mail: [email protected]

Aaron KellyUniversity of Toronto80 St. George StreetToronto, ONCanadaE-mail: [email protected]

Saheba KhuranaDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Yasutaka KitagawaOsaka UniversityGraduate School of Science1-1 MachikaneyamaToyonaka, OsakaJapanE-mail: [email protected]

Jayachandran KizhakkedathuUniversity of British Columbia2350 Health Sciences MallCentre for Blood Research, #4408Vancouver, BCCanadaE-mail: [email protected]

Dmitri KlimovGeorge Mason University10900 University BlvdMS 5B3Manassas, VAUSAE-mail: [email protected]

Mariusz KlobukowskiDepartment of ChemistryUniversity of Alberta11227 Saskatchewan DriveEdmonton, ABCanadaE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3155

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Masato KobayashiWaseda University3-4-1 OkuboShinjuku-ku, TokyoJapanE-mail: [email protected]

Barbara KowalczykCracowMalopolskaPolandE-mail: [email protected]

Karol KowalskiPNNLRichland, WAUSAE-mail: [email protected]

Bernie KraatzDepartment of ChemistryThe University of Western Ontario1151 Richmond StreetLondon, ONCanadaE-mail: [email protected]

Olga KravchenkoUniversity of British ColumbiaVancouver, BCCanadaE-mail: [email protected]

Roman KremsUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

H. Juergen KreuzerDepartment of PhysicsCoburg RoadHalifax, NSCanadaE-mail: [email protected]

Mykhaylo KrykunovDepartment of ChemsitryUniversity of Calgary2500 University Drive N.W.Calgary, ABCanadaE-mail: [email protected]

Anna KrylovDepartment of ChemistryUSCLos Angeles, CAUSAE-mail: [email protected]

Konstantin KudinPRISM, Princeton University70 Prospect Ave., Bowen Hall 417Princeton, NJUSAE-mail: [email protected]

Alexander I. KuleffTheoretical ChemistryPCI, University of HeidelbergIm Neuenheimer Feld 229HeidelbergGermanyE-mail: [email protected]

Andrei KulikovskyInstitute for Energy Research - Fuell CellsForschungszentrum JuelichResearch Centre Juelich, IEF-3JuelichGermanyE-mail: [email protected]

Maria KurnikovaChemistry DepartmentCarnegie Mellon University4400 Fifth Ave.Pittsburgh, PAUSAE-mail: [email protected]

Peter KusalikDepartment of ChemistryUniversity of Calgary2500 University Dr. NWCalgary, ABCanadaE-mail: [email protected]

Joerg KussmannPennsylvania State University104 Chemistry BuildingUniversity Park, PAUSAE-mail: [email protected]

Mimi LamUniversity of British Columbia2202 Main MallVancouver, BCCanadaE-mail: [email protected]

LIST OF PARTICIPANTS

3156 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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Guillaume LamoureuxDepartment of Chemistry and BiochemistryConcordia University7141 Sherbrooke Street WestMontreal, QCCanadaE-mail: [email protected]

Andrzej LasiaDepartement de ChimieUniversite de SherbrookeSherbrooke, QCCanadaE-mail: [email protected]

Sangyoub LeeSeoul National UniversitySinrim-9-DongGwanak-Ku, SeoulSouth KoreaE-mail: [email protected]

Roland LefebvreLaboratoire Photophysique MoleculaireBat.210, OrsayFranceE-mail: [email protected]

Claude LeforestierUniversite MontpellierCTMM-CC 15.01, Institut GehrardtUniversite Montpellier 2MontpellierFranceE-mail: [email protected]

David LeitnerDepartment of ChemistryUniversity of NevadaReno, Mail Stop 216Reno, NVUSAE-mail: [email protected]

William A. Lester JrDepartment of ChemistryUniversity of CaliforniaBerkeley, CAUSAE-mail: [email protected]

Bogdan LevInstitute for Biocomplexity and InformaticsUniversity of CalgaryRoom # 547, Biological Sciences Building2500 University Dr. N.W.Calgary, ABCanadaE-mail: [email protected]

Robert LevisTemple University1901 N 13 StreetPhiladelphia, PAUSAE-mail: [email protected]

Mel LevyChemistry DepartmentDuke UniversityFrench Family Science Center124 Science DriveDurham, NCUSAE-mail: [email protected]

Xiang-Yuan LiSichuan UniversitySouthern Cycle 1 RoadChengdu, SichuanChinaE-mail: [email protected]

Ying LiDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Carmay LimInstitute of Biomedical SciencesAcademia Sinica128 Yen Chiu Yan RoadTaipeiTaiwanE-mail: [email protected]

Ingvar LindgrenGoteborg UniversityGoteborgSwedenE-mail: [email protected]

Jacek LipkowskiDepartment of ChemistryUniversity of Guelph50 Stone Rd EastGuelph, ONCanadaE-mail: [email protected]

Simon LiuNRC Institute for Fuel Cell Innovation4250 Wesbrook MallVancouver, BCCanadaE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3157

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Wenjian LiuCollege of Chemistry and Molecular EngineeringPeking UniversityBeijingChinaE-mail: [email protected]

Kenneth LopataDepartment of Chemistry and BiochemistryUniversity of California, Los Angeles607 Charles E. Young Drive EastLos Angeles, CAUSAE-mail: [email protected]

Jose-Manuel LopezUniversidad de ValladolidPrado de la Magdalena s/nValladolidSpainE-mail: [email protected]

Gang LuCalifornia State University Northridge18111 Nordhoff StreetNorthridge, CAUSAE-mail: [email protected]

Eduardo LudenaChemistry CenterInstituto Venezolano de Investigaciones

CientificasIVIC, Apartado 21827CaracasVenezuelaE-mail: [email protected]

Arne LuechowRWTH Aachen UniversityInstitute of Physical ChemistryLandoltweg 2, AachenGermanyE-mail: [email protected]

Alex MacKerellUniversity of MarylandPharmacy, 20 Penn Street, Room 629Baltimore, MDUSAE-mail: [email protected]

Paul MaddenSchool of ChemistryUniversity of EdinburghKing’s Buidings, West Mains RoadEdinburghMidlothianUnited KingdomE-mail: [email protected]

Rahul MaitraIndian Association for the Cultivation of Science2A and 2B Raja S. C. Mullick RoadKolkata, West BengalIndiaE-mail: [email protected]

Kourosh MalekNRC-IFCI, 4250 Wesbrook MallVancouver, BCCanadaE-mail: [email protected]

Vladimir MandelshtamChemistry DepartmentUniversity of California at IrvineIrvine, CAUSAE-mail: [email protected]

Alfred MaquetUniversite Pierre et Marie CurieLaboratoire de Chimie Physique11 rue Pierre et Marie CurieParisFranceE-mail: [email protected]

Rudolph MarcusCalifornia Institute of Technology110 Noyes Laboratory of Chemical PhysicsMC127-72Pasadena, CAUSAE-mail: [email protected]

Richard MartinTheoretical DivisionLos Alamos National LaboratoryMSB268Los Alamos, NMUSAE-mail: [email protected]

Glenn MartynaIBM TJ Watson Reseach LabPO Box 218Yorktown Heights, NYUSAE-mail: [email protected]

LIST OF PARTICIPANTS

3158 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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Jean MaruaniLabo de Chimie PhysiqueUPMC and CNRS11 rue Pierre et Marie CurieParisFranceE-mail: [email protected]

Tetsuya MashioNissan Motor Co., Ltd.1 NatsushimaYokosuka, KanagawaJapanE-mail: [email protected]

David MazziottiJames Franck InstituteThe University of Chicago929 E. 57th St.Chicago, ILUSAE-mail: [email protected]

Richard McCreeryUniversity of Alberta11421 Saskatchewan DriveEdmonton, ABCanadaE-mail: [email protected]

Edmund MeyerJILA, UCB 440Boulder, COUSAE-mail: [email protected]

Josef MichlDepartment of Chemistry and BiochemistryUniversity of Colorado215 UCBBoulder, COUSAE-mail: [email protected]

Thomas MillerCalifornia Institute of TechnologyPasadena, CAUSAE-mail: [email protected]

William H. MillerDepartment of ChemistryUniversity of CaliforniaBerkeley, CAUSAE-mail: [email protected]

Valery MilnerDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Pere MiroInstitute Of Chemical Research of Catalonia

(ICIQ)Av. Països Catalans16, TarragonaSpainE-mail: [email protected]

Lubos MitasNorth Carolina State University2401 Stinson Dr.Raleigh, NCUSAE-mail: [email protected]

David MitlinUniversity of Alberta and NINT NRCCME Bldg.Edmonton, ABCanadaE-mail: [email protected]

Mariusz MitorajDepartment of Theoretical ChemistryJagiellonian UniversityR.Ingardena 3Cracow, MalopolskaPolandE-mail: [email protected]

Yirong MoWestern Michigan University1903 W Michigan AveKalamazoo, MIUSAE-mail: [email protected]

Takamasa MomoseDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Charles MonroeSimon Fraser University/NRCC-IFCI8888 University DriveBurnaby, BCCanadaE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3159

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Jesus MoralesUniversidad Autonoma Metropolitana - Azc.

DCB-CB-FAMASn Pablo 180, Reynosa AzcapotzalcoMexico, D.F.MexicoE-mail: [email protected]

Keiji MorokumaKyoto UniversityFukui Institute for Fundamental Chemistry34-4 Takano NIshihirakichoKyotoJapanE-mail: [email protected]

Jonathan MorrisonDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Nick MoseyDepartment of ChemistryQueen’s University90 Bader LaneKingston, ONCanadaE-mail: [email protected]

Robert MoszynskiDepartment of ChemistryUniversity of WarsawPasteura 1WarsawPolandE-mail: [email protected]

Debashis MukherjeeIndian Association for the Cultivation of Science2 A and 2 B Raja S C Mullick RoadKolkata, West BengalIndiaE-mail: [email protected]

Balakrishnan NaduvalathUniversity of Nevada Las Vegas4505 Maryland ParkwayLas Vegas, NVUSAE-mail: [email protected]

Hidemi NagaoFaculty of Mathematics and PhysicsInstitute of Science and EngineeringKanazawa UniversityKakuma, KanazawaJapanE-mail: [email protected]

Agnes NagyDepartment of Theoretical PhysicsUniversity of DebrecenH 4010 Debrecen, Egyetem ter 1DebrecenHungaryE-mail: [email protected]

Hiromi NakaiWaseda University3-4-1 OkuboShinjuku, TokyoJapanE-mail: [email protected]

Hiroshi NakatsujiQuantum Chemistry Research InstituteKyodai Katsura Venture PlazaNorth Building1-36 Goryo OoharaNishikyo-ku, KyotoJapanE-mail: [email protected]

Marco NascimentoUniversidade Federal do Rio de JaneiroCidade UniversitariaCT Bloco A sala 412Ilha do FundaoRio de JaneiroBrazilE-mail: [email protected]

Ali NassimiUniversity of Toronto80 St. George StreetToronto, ONCanadaE-mail: [email protected]

Alexander Neimark VRutgers, The State University of New Jersey98 Brett RoadPiscataway, NJUSAE-mail: [email protected]

LIST OF PARTICIPANTS

3160 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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Chris NelsonAWE / The University of ReadingBldg B8E.1, AldermastonReading, BerkshireUnited KingdomE-mail: [email protected]

Mathias NestUniversity PotsdamKarl-Liebknecht-Str 25, PotsdamBrandenburgGermanyE-mail: [email protected]

Johannes NeugebauerETH Zurich, Laboratorium fuer Physikalische

ChemieWolfgang-Pauli-Strasse 10HCI, ZurichSwitzerlandE-mail: [email protected]

Daniel NeuhauserChemistry and Biochemistry DepartmentUCLA, 607 Charles E. Young DriveLos Angeles, CAUSAE-mail: [email protected]

Matthew NeurockUniversity of Virginia102 Engineers’ WayCharlottesville, VAUSAE-mail: [email protected]

Lampros NikolopoulosDepartment of Applied Mathematics and

Theoretical PhysicsThe Queen’s University of BelfastBates BuildingBelfastUnited KingdomE-mail: [email protected]

Kiyoshi NishikawaKanazawa UniversityFaculty of ScienceDepartment of Computational ScienceKakumamachi, KanazawaJapanE-mail: [email protected]

Masha NivThe Hebrew University of JerusalemThe Faculty of AgriculturalFood and Environmental Quality SciencesRehovotIsraelE-mail: [email protected]

Louis NoodlemanThe Scripps Research InstituteTPC15, 10550 North Torrey Pines Rd.La Jolla, CAUSAE-mail: [email protected]

Marcel NooijenUniversity of Waterloo200 University Avenue WestWaterloo, ONCanadaE-mail: [email protected]

Sture NordholmDepartment of ChemistryUniversity of GothenburgGoteborgSwedenE-mail: [email protected]

Sergei NoskovUniversity of CalgaryInstitute for Biocomplexity and InformaticsDepartment of Biological Sciences2500 University DriveBI558, Calgary, ABCanadaE-mail: [email protected]

Stephen PaddisonUniversity of Tennessee321 Dougherty EngineeringKnoxville, TNUSAE-mail: [email protected]

Josef PaldusDepartment of Applied MathematicsUniversity of Waterloo200 University Ave. W.Waterloo, ONCanadaE-mail: [email protected]

Serguei PatchkovskiiSteacie Institute for Molecular SciencesNRC Canada, 100 Sussex DriveOttawa, ONCanadaE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3161

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Gren PateyDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Michele PavanelloUniversity of Arizona1306 E. University Blvd.Tucson, AZUSAE-mail: [email protected]

Francesco PederivaPhysics DepartmentUniversity of TrentoVia Sommarive, 14, TrentoItalyE-mail: [email protected]

John P. PerdewDepartment of PhysicsTulane UniversityNew Orleans, LAUSAE-mail: [email protected]

Philip PhillipsUIUC1110 W. Green St.Champaign, ILUSAE-mail: [email protected]

Piotr PiecuchDepartment of ChemistryMichigan State UniversityEast Lansing, MIUSAE-mail: [email protected]

Jean-Philip PiquemalUniversite Pierre et Marie CurieParis 6, Laboratoire de Chimie TheoriqueCC 137, 4 place JussieuParisFranceE-mail: [email protected]

Payman PirzadehDepartment of ChemistryUniversity of Calgary2500 University Drive NWCalgary, ABCanadaE-mail: [email protected]

Jiri PittnerJ. Heyrovsky InstituteAcademy of Sciences of the Czech RepublicDolejskova 3, PragueCzech RepublicE-mail: [email protected]

Boris N. PlakhutinRussian Academy of SciencesBoreskov Institute of CatalysisProspekt Lavrentieva5, NovosibirskRussiaE-mail: [email protected]

Steven PlotkinDepartment of PhysicsUniversity of British Columbia6224 Agricultural RoadVancouver, BCCanadaE-mail: [email protected]

Alex PlyukhinDepartment of Physics and Engineering PhysicsUniversity of Saskatchewan116 Science PlaceSaskatoon, SKCanadaE-mail: [email protected]

Rafal PodeszwaFaculty of ChemistryUniversity of Warsawul. Pasteura 1WarsawPolandE-mail: [email protected]

Eli PollakChemical Physics DepartmentWeizmann Institute of ScienceRehovothIsraelE-mail: [email protected]

Regis PomesHospital for Sick Children555 University AvenueToronto, ONCanadaE-mail: [email protected]

Sergey PopruzhenkoMax Planck Institute for Nuclear PhysicsSaupfercheckweg 1HeidelbergGermanyE-mail: [email protected]

LIST OF PARTICIPANTS

3162 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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Oleg PrezhdoDepartment of ChemistryUniversity of WashingtonSeattle, WAUSAE-mail: [email protected]

Enrico O. PurisimaNRC-BRIBiotechnology Research Institute6100 Royalmount AvenueMontreal, QCCanadaE-mail: [email protected]

Martin QuackETH ZurichPhysical ChemistryWolfgang Paulistr 10, CH-8093 ZurichZurichSwitzerlandE-mail: [email protected]

Krishnan RaghavachariDepartment of ChemistryIndiana University800 E. Kirkwood AvenueBloomington, INUSAE-mail: [email protected]

Tapio T. RantalaTampere University of TechnologyP.O. Box 692TampereFinlandE-mail: [email protected]

Vitaly RassolovDepartment of Chemistry and BiochemistryUniversity of South Carolina631 Sumter St.Columbia, SCUSAE-mail: [email protected]

Christopher RennickDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Jan Michael RostMax Planck Institute for the Physics of Complex

SystemsNoethnitzer Str. 38DresdenGermanyE-mail: [email protected]

Stuart RothsteinChemistry DepartmentBrock University500 Glenridge AvenueSt. Catharines, ONCanadaE-mail: [email protected]

Ata RoudgarDepartment of ChemistrySimon Fraser University8888 University DriveBurnaby, BCCanadaE-mail: [email protected]

Christopher RowleyUniversity of Ottawa10 Marie-Curie Pvt.Ottawa, ONCanadaE-mail: [email protected]

Pierre-Nicholas RoyDepartment of ChemistryUniversity of AlbertaEdmonton, ABCanadaE-mail: [email protected]

Dmitri RozmanovUniversity of Calgary2500 University Drive NWCalgary, ABCanadaE-mail: [email protected]

Artem RudenkoMax-Planck-Institut fur KernphysikSaupfercheckweg 1HeidelbergGermanyE-mail: [email protected]

Klaus RuedenbergDepartment of Chemistry and Ames LaboratoryIowa State UniversityAmes, IAUSAE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3163

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Kresimir RupnikLSUBaton Rouge, LAUSAE-mail: [email protected]

Adrienn R. RuzsinszkyDepartment of PhysicsTulane UniversityNew Orleans, LAUSAE-mail: [email protected]

Alejandro SaenzHumboldt University BerlinHausvogteiplatz 5-7Berlin, GermanyE-mail: [email protected]

Dennis SalahubUniverisity of CalgaryInstitute for Biocomplexity and InformaticsBI556, 2500 University Drive NWCalgary, ABCanadaE-mail: [email protected]

Sudipta SamantaS. N. Bose. National Center For Basic SciencesBlock-JD, Sector-IIISalt LakeKolkata, West BengalIndiaE-mail: [email protected]

Andreas SavinLaboratoire de Chimie TheoriqueCNRS and Universite Paris VI4, place JussieuParisFranceE-mail: [email protected]

Henry SchaeferUniversity of Georgia1004 Cedar St.Chemistry AnnexAthens, GAUSAE-mail: [email protected]

Bernhard SchlegelDepartment of ChemistryWayne State University5101 Cass Ave.Detroit, MIUSAE-mail: [email protected]

Jeremy SchofieldChemical Physics Theory GroupUniversity of Toronto80 Saint George StreetToronto, ONCanadaE-mail: [email protected]

Armin ScrinziVienna University of TechnologyGusshausstrasse 27/387ViennaAustriaE-mail: [email protected]

Gustavo ScuseriaChemistry DepartmentRice University6100 Main St.Houston, TXUSAE-mail: [email protected]

Daniel SebastianiMax Planck Institute for Polymer ResearchAckermannweg 1055128 MainzGermanyE-mail: [email protected]

Marc SecanellUniversity of Victoria4250 Wesbrook MallVancouver, BCCanadaE-mail: [email protected]

Mikyung SeoDepartment of ChemistryUniversity of AlbertaEdmonton, ABCanadaE-mail: [email protected]

Jiushu ShaoBeijing Normal UniversityXiejiekuowaidajie 19Haidian DistrictBeijingChinaE-mail: [email protected]

Evgeny ShapiroDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

LIST OF PARTICIPANTS

3164 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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Moshe ShapiroDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

David SherrillGeorgia Institute of Technology901 Atlantic Drive NWAtlanta, GAUSAE-mail: [email protected]

Zheng ShiNRC-Institute for Fuel Cell Innovation4250 Wesbrook MallVancouver, BCCanadaE-mail: [email protected]

Yasuteru ShigetaTsukuba UniversityTennodai 1-1-1Tsukuba, IbarakiJapanE-mail: [email protected]

Georgi ShpenkovFIRMUS S.A.R.L.33 Boulevard Princesse CharlotteMonte-CarloMonacoE-mail: [email protected]

Harris J. SilverstoneDepartment of ChemistryJohns Hopkins University3400 N Charles St.Baltimore, MDUSAE-mail: [email protected]

Olga SmirnovaNational Research Council100 Sussex DriveRm 2007Ottawa, ONCanadaE-mail: [email protected]

Roger SmithLoughborough UniversityAshby RoadLoughborough, LeicestershireUnited KingdomE-mail: [email protected]

Stanley SmithDepartment of ChemistryTemple University129 Beury Hall1901 N. 13th StreetPhiladelphia, PAUSAE-mail: [email protected]

Adam SochaFIRMUS sarl33 Boulevard Pricesse CharlotteMonte-CarloMonacoE-mail: [email protected]

Heidrun SpohrDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

John StantonUniversity of Texas at AustinMail Stop A5300Austin, TXUSAE-mail: [email protected]

Viktor N. StaroverovDepartment of ChemistryThe University of Western OntarioLondon, ONCanadaE-mail: [email protected]

Malcolm StottDepartment of PhysicsQueen’s UniversityKingston, ONCanadaE-mail: [email protected]

Suzana StrausDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3165

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Julia SubbotinaUniversity of CalgaryInstitute for Biocomplexity and InformaticsRoom # 547Biological Sciences Building2500 University Dr. N.W.Calgary, ABCanadaE-mail: [email protected]

Jaeyoung SungDepartment of ChemistryChung-Ang UniversitySurim Science Building 9417-1221 HeukSeok-Dong DongJak-GuSeoulSouth KoreaE-mail: [email protected]

Peter SurjanLaboratory of Theoretical ChemistryEotvos UniversityPOB 32, BudapestHungaryE-mail: [email protected]

Agnes SzabadosLaboratory of Theoretical ChemistryEotvos UniversityPazmany Peter 1/ABudapestHungaryE-mail: [email protected]

Shigenori TanakaKobe UniversityGraduate School of Human Development and

Environment3-11, TsurukabutoNada-kuKobe, HyogoJapanE-mail: [email protected]

Yuguo TaoUniversity of TorontoDepartment of ChemistryChemical Physics Theory Group80 St. George StreetToronto, ONCanadaE-mail: [email protected]

Philip TaylorDepartment of PhysicsCase Western Reserve University10900 Euclid Ave.Cleveland, OHUSAE-mail: [email protected]

Mark ThachukDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Ajit ThakkarDepartment of ChemistryUniversity of New Brunswick30 Dineen DriveFredericton, NBCanadaE-mail: [email protected]

Donald ThompsonDepartment of ChemistryUniversity of Missouri-Columbia125 Chemistry BuildingColumbia, MOUSAE-mail: [email protected]

Timo ThonhauserDepartment of PhysicsWake Forest UniversityWinston-Salem, NCUSAE-mail: [email protected]

Wei Quan TianDepartment of PhysicsUniversity of LouisvilleLouisville, KYUSAE-mail: [email protected]

Peter TielemanDepartment of Biological SciencesUniversity of Calgary2500 University Dr. NWCalgary, ABCanadaE-mail: [email protected]

LIST OF PARTICIPANTS

3166 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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Motoi TobitaHitachi Ltd., 1-280Higashi-KoigakuboKokubunji, TokyoJapanE-mail: [email protected]

Edmanuel TorresMax Planck Institute for Iron ResearchMax-Planck-Str. 1DuesseldorfGermanyE-mail: [email protected]

Mohamad ToutounjiUnited Arab UniversityDubaiAsharej, 23, Al AinDubaiAbu DhabiUnited Arab ErimatesE-mail: [email protected]

David TozerDepartment of ChemistryDurham UniversitySouth RoadDurhamUnited KingdomE-mail: [email protected]

Samuel B. TrickeyQTP, Departments of Physics and ChemistryBox 118440University of FloridaGainesville, FLUSAE-mail: [email protected]

Donald TruhlarUniversity of Minnesota207 Pleasant Street SEMinneapolis, MNUSAE-mail: [email protected]

Timur TscherbulITAMP, Harvard-Smithsonian Center for

Astrophysics60 Garden St.Cambridge, MAUSAE-mail: [email protected]

Mark TuckermanDepartment of ChemistryNew York University100 Washington Square EastNew York, NYUSAE-mail: [email protected]

Jack TuszynskiCross Cancer Institute11560 University AvenueEdmonton, ABCanadaE-mail: [email protected]

Cyrus UmrigarPhysics DepartmentLASSP, Clark HallCornell UniversityIthaca, NYUSAE-mail: [email protected]

Iosif VaismanGeorge Mason University10900 University Blvd.MS5B3Manassas, VAUSAE-mail: [email protected]

Carmela ValdemoroInstituto de Fisica Fundamental (CSIC)Serrano 123MadridSpainE-mail: [email protected]

Henk van BeijerenInstitute for Theoretical PhysicsUtrecht UniversityLindenlaan 19, ZeistUtrechtThe NetherlandsE-mail: [email protected]

Rutger A. van SantenEindhoven University of TechnologyP.O. Box 513EindhovenThe NetherlandsE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3167

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Troy Van VoorhisDepartment of ChemistryMIT, 77 Massachusetts Ave.MIT Room 6-229Cambridge, MAUSAE-mail: [email protected]

Ramses van ZonChemical Physics Theory GroupDepartment of ChemistryUniversity of Toronto80 Saint George StreetToronto, ONCanadaE-mail: [email protected]

Aleksey VishnyakovDepartment of Chemical EngineeringRutgers University98 Brett Rd.Piscataway, NJUSAE-mail: [email protected]

Lucas WagnerUniversity of CaliforniaBerkeley, 366 Le Conte Hall #3700Berkeley, CAUSAE-mail: [email protected]

Surajith Nalantha WanasundaraDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Liya WangChemsitry DepartmentSimon Fraser University8888 University Dr.Burnaby, BCCanadaE-mail: [email protected]

Yan Alexander WangDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Donald WeaverDepartment of ChemistryDalhousie UniversityHalifax, Nova ScotiaCanadaE-mail: [email protected]

Dongqing WeiCollege of Life Sciences and BiotechnologyShanghai Jiaotong University800 Dongchuan RdMinhang District, ShanghaiChinaE-mail: [email protected]

Noham WeinbergUniversity of the Fraser Valley33844 King Rd.Abbotsford, BCCanadaE-mail: [email protected]

Tomasz WesolowskiDepartment of Physical ChemistryUniversity of Geneva30, quai Ernest-AnsermetGenevaSwitzerlandE-mail: [email protected]

Stu WhittingtonUniversity of Toronto80 St George St.Toronto, ONCanadaE-mail: [email protected]

David WilkinsonDepartment of Chemical and Biological

EngineeringUniversity of British Columbia2360 East MallVancouver, BCCanadaE-mail: [email protected]

Lance WobusTaylor & Francis/CRC Press6000 Broken Sound Parkway NW Suite 300Boca Raton, FLUSAE-mail: [email protected]

Chung WongUniversity of Missouri-Saint LouisOne University BoulevardSaint Louis, MOUSAE-mail: [email protected]

LIST OF PARTICIPANTS

3168 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14

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Tom WooUniversity of Ottawa10 Marie-CurieOttawa, ONCanadaE-mail: [email protected]

Tao WuZhejiang UniversityZheda Road 38HangZhouChinaE-mail: [email protected]

Ping XiangDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Xin XuDepartment of ChemistryXiamen UniversityXiamen, FujianChinaE-mail: [email protected]

TomonoriHiroshima University1-3-1 KagamiyamaHigashi-HiroshimaHiroshimaJapanE-mail: [email protected]

YiJing YanDepartment of ChemistryHong Kong University of Science and TechnologyKowloonHong KongE-mail: [email protected]

Weitao YangDuke University5310 French Family Science Center124 Science DriveDurham, NCUSAE-mail: [email protected]

Xueming YangDalian Institute of Chemical PhysicsCAS, 457 Zhongshan RoadDalian, LiaoningChinaE-mail: [email protected]

Zhong-Zhi YangLiaoning Normal University850 Huanghe RoadDalian, LiaoningChinaE-mail: [email protected]

Charles YeungDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

Darrin YorkUniversity of Minnesota207 Pleasant Street S.E.Minneapolis, MNUSAE-mail: [email protected]

Hua-Zhong YuDepartment of ChemistrySimon Fraser University8888 University DriveBurnaby, BCCanadaE-mail: [email protected]

Xue YuUniversity of Toronto80 St. George StreetToronto, ONCanadaE-mail: [email protected]

John ZhangNew York UniversityNew York, NYUSAE-mail: [email protected]

Yingkai ZhangNew York University100 Washington Square EastNew York, NYUSAE-mail: [email protected]

Yu ZhangDepartment of ChemistryUniversity of British Columbia2036 Main MallVancouver, BCCanadaE-mail: [email protected]

LIST OF PARTICIPANTS

VOL. 109, NO. 14 DOI 10.1002/qua INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 3169

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Dong Xia ZhaoLiaoning Normal University850 Huanghe RoadDalian, LiaoningChinaE-mail: [email protected]

Xiao ZhengDepartment of ChemistryThe Hong Kong University of Science and

TechnologyClear Water BayKowloonHong KongE-mail: [email protected]

Chaoyuan ZhuDepartment of Applied ChemistryNational Chiao Tung University1001, Ta-Hsueh Rd.HsinchuTaiwanE-mail: [email protected]

Tom ZieglerUniversity of Calgary2500 University DriveCalgary, ABCanadaE-mail: [email protected]

Tomislav ZivkovicInstitute Rudjer BoskovicBijenicka c. 54ZagrebCroatiaE-mail: [email protected]

Josef ZwanzigerDepartment of ChemistryDalhousie UniversityCoburg RoadHalifax, NSCanadaE-mail: [email protected]

LIST OF PARTICIPANTS

3170 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY DOI 10.1002/qua VOL. 109, NO. 14