International Journal of Molecular Sciences (IJMS) (ISSN 1422-0067, CODEN: IJMCFK)

Editors and Editorial Board

Virtual Editorial Center

Editor-in-Chief (starting 19 January 2004)
Dr. Francis F. Muguet
LMA, ENSTA (École Nationale Supérieure de Techniques Avancées), 32 Boulevard Victor, F-75739 Paris Cedex, France
Tel. (33) 1 45 52 60 19, Fax. (33) 1 45 52 5282
E-mail: muguet@ensta.fr, muguet@mdpi.org
http://www.ensta.fr/~muguet/
Keywords: Computational chemistry, water model, scientific information, nanotubes

Production Editor
Prof. Yuri G. Bushuev
Ivanovo State University of Chemistry & Technology, 7 Prosp. F. Engel'sa, 153460 Ivanovo, Russian Federation
E-mail: bushuev@isuct.ru
http://www.isuct.ru/khimia/bushueveng.htm
Keywords: liquids, water, solutions, aqueous solutions, structure of liquids, computer simulation of liquids

Associate Production Editor
Dr. Yevgeniy Podolyan
Department of Chemistry, Jackson State University, Jackson, MS 39217-0510, USA
Tel: (601) 979-4114, Fax: (601) 979-7823
E-mail: podolyan@ccmsi.us
http://ccmsi.us/podolyan/
Keywords: quantum chemistry, computational chemistry, DNA bases, DNA base pairs, proton transfer, tautomers, prototropic tautomerism, spontaneous pointmutations

Managing Editor and Publisher
Dr. Shu-Kun Lin
Molecular Diversity Preservation International (MDPI), Matthaeusstrasse 11, CH-4057 Basel, Switzerland
Tel. +41 79 322 3379, Fax. +41 61 302 8918
E-mail: lin@mdpi.org
http://www.mdpi.org/lin/
Keywords: information theory, symmetry, thermodynamics, molecular recognition, chemical process spontaneity, static entropy, similarity principle, symmetry principle, the second law of information theory, structural stability, complementarity, order, disorder

Founding Editor-in-Chief
Prof. Dr. Jerzy Leszczynski
Department of Chemistry, Jackson State University, Jackson , MS 39217, USA
Tel. (601)979-3482, Fax. (601)979-7823
E-mail: jerzy@ccmsi.us
http://ccmsi.us/leszczynski/
Keywords: computational chemistry, ab initio methods, potential energy surfaces, DNA fragments, biomolecules

International Editorial Board

Prof. Dr. Antonio Aguilar-Navarro
 
Departament de Química Física, Facultat de Química, Universitat de Barcelona, C/ Martí i Frnaquès, 1, 08028-Barcelona (SPAIN)
Tel. +34 93 402 12 24, Fax. +34 93 402 12 31
E-mail: antonio@qf.ub.es
http://www.qf.ub.es
Keywords: Experimental reaction dynamics, Quasiclassical trajectory calculation, Quantum reaction dynamics,  Potential energy surfaces, Non adiabatic collision processes

Dr. Eugene V. Babaev
Chemistry Department, , Moscow State University, Moscow 119899, Russia
Tel: 7-(095)-939-3020, Fax: 7-(095)-932-8846
E-mail: babaev@org.chem.msu.su
http://org.chem.msu.su/~babaev
Keywords: periodic table, periodicity in general, molecular periodicity, mathematical chemistry, chemical topology, chemical graph theory, conservation laws, polarity alternation, computer-assisted synthesis, heterocycles, munchnones, cycloaddition, ring transformations, beautiful and unusual rearrangements, combinatorial chemistry

Dr. Marie-Christine Bacchus
Laboratoire de Spectrometrie Ionique et Moleculaire, 43, Bd du 11 Novembre, 69622 VILLEURBANNE Cedex, France
Tel. +33 4 72 43 10 83, Fax: +33 4 72 43 15 07
E-mail: bacchus@lasim.univ-lyon1.fr
Keywords: quantum chemistry, ab-initio potential energy curves, non-adiabatic couplings, charge transfer, ion-atom and ion-molecule collisions, photodissociation reactions, non-adiabatic effects, semi-classical dynamics, quantum dynamics

Prof. Dr. R. Stephen Berry
Department of Chemistry and the James Franck Institute, The University of Chicago, 5735 South Ellis Avenue, Chicago, Illinois 60637, USA
E-mail: berry@uchicago.edu
http://chemistrydev.uchicago.edu/fac/berry_group/
Keywords: clusters; phase transitions; protein folding and dynamics; thermodynamics; atomic and molecular collisions; photoionization; kinetics of complex systems

Dr. B. Blessington
Pharmaceutical Chemistry Section, Pharmacy Department, Bradford University. Bradford BD7 1DP, UK
Tel. 44 (0) 1274 234704, Fax.  44 (0) 1274 235600
E-mail: b.blessington@brad.ac.uk
http://www.staff.brad.ac.uk/bblessin/
Keywords: Tuberculosis, Polyamines, Chiral Chromatography, Mass Spectrometry, Computer Assisted Teaching Methods

Prof. Dr. Petr Carsky
J.Heyrovsky Institute of Physical Chemistry, Academy of Sciences of teh Czech Republic, Doleskova 3, 18223 Prague 8, Czech Republic
Tel: (4202)-6605-3665, Fax: (4202)-858-2307
E-mail: petr.carsky@jh-inst.cas.cz
http://www.jh-inst.cas.cz
Keywords: quantum chemistry, ab initio calculations, development of computational methods, application to spectroscopy and reactivity, electron correlation

Dr. Abhijit Chatterjee
Researcher,Laboratory of Membrane Chemistry,AIST Tohoku, 4-2-1 Nigatake, Miyagino-ku Sendai 983-8551, Japan
Tel. +81-22-237-5211, Fax. +81-22-237-5227
E-mail: c-abhijit@aist.go.jp
http://unit.aist.go.jp/lmc/english/index.html
Keywords: Density functional theory, material designing, computational chemistry, inorganic catalytic material, catalytic reactions, inorganic membrane,  Transition state calculation, atomistic simulation, ab initio first principle calculation, reactivity index

Dr. Henry Chermette
UNIVERSITE CLAUDE BERNARD DE LYON et UMR CNRS 5182, Chimie Physique Theorique, bat 210, 43 bd du 11 novembre 1918, F-69622 VILLEURBANNE Cedex. France
Tel:[+33](0)4 72 44 84 27(office), [+33](0)4 72 44 54 10(lab), Fax:[+33](0)4 72 44 53 99
E-mail: Henry.Chermette@univ-lyon1.fr or cherm@in2p3.fr
Keywords:
density functional, theory (DFT), applications of DFT to chemical propertie, electronic, structure of molecules and materials

Prof. Dr. Henryk Chojnacki
Institute of Physical and Theoretical Chemistry, I-30, Wyb. Wyspianskiego 27, 50-370 Wroclaw, Poland
Tel. +48 071 3 20 35 20, Fax. +48 071 320 33 64
E-mail: chojnacki@kchk.ch.pwr.wroc.pl
Keywords: molecular quantum chemistry, computational chemistry, electronic structure, electronic spectra, hydrogen bonding, molecular systems containing  antiparticles, relativistic effects in molecular systems

Prof. Dr. David C. Clary
Department of  Chemistry, University College London, 20 Gordon Street, London WC1H OAJ , UK
Tel: 020 7679 1488, Fax: 020 7679 4560
E-mail: d.c.clary@ucl.ac.uk
http://www.chem.ucl.ac.uk/people/clary/index.html
Keywords: theory and computer simulation on the reactions, energy transfer and dynamics of polyatomic molecules. This includes problems in the gas phase, clusters, solid surfaces and biomolecules. The work connects up with many areas of chemistry, has close links with several experimental groups and has many important applications ranging from atmospheric science to biochemistry

Prof. Dr. Yun-Bo Duan
Institute for Computational and Engineering, Qingdao University, Qingdao, Shandong 266071, China
E-mail: bob@nauu.org
Keywords:
quantum chemistry, computational chemistry

Prof. Gunars Duburs
Latvian Institute of Organic synthesis, Aizkraukles Street 21  Riga LV 1006, Latvia
Tel. 371 7551232,   Fax: 371 7550338
E-mail: gduburs@osi.lv
http://www.osi.lv/strukt/strukt7.html or http://www.lza.lv/scientists/dubursg.htm
Keywords: Heterocyclic compounds: nitrogen containing heterocycles, pyridines; neuroprotectors; radioprotectors

Dr. Dario A. Estrin
Departamento de Quimica Inorganica, Analitica y Quimica Fisica and INQUIMAE, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aire, Ciudad Universitaria, Pabellon 2, (1428) Buenos Aires, Argentina
Tel. 54-11-4576-3378, Fax: 54-11-4576-3341
E-mail: dario@pepa.q1.fcen.uba.ar
http://www.q1.fcen.uba.ar/personal/estrini.html
Keywords: QM-MM, heme proteins, DFT, porphyrins

Prof. Dr. Marc Henry
President de la CSE 32eme section Universite Louis Pasteur, Institut Le Bel, UMR CNRS/ULP 7140 Laboratoire de Chimie Moleculaire de l'Etat Solide 4, Rue Blaise Pascal 67070 Strasbourg, Cedex, France
Tel: +33.3.90.24.13.56, Fax: +33.3.90.24.50.01
E-mail: henry@chimie.u-strasbg.fr
http://www-chimie.u-strasbg.fr/~lcmes/labo, http://semsci.u-strasbg.fr
Keywords: water structure, supramolecular chemistry, coordination chemistry, symmetry, thermodynamics, molecular recognition, biomaterials, NMR spectroscopy, color chemistry, gels, colloids

Dr. Alan Hinchliffe
Reader in Chemistry, UMIST, Sackville Street, Manchester M60  1QD, UK
Tel. +44 (0) 161 200 4554,  Fax.  +44 (0) 161 228 7040
E-mail: Alan.Hinchliffe@UMIST.ac.uk
http://www.umist.ac.uk/departments/chemistry/about/staff/hinchliffe.htm
Keywords: Hydrogen Bonding, Electromagnetic Properties, Environmental Chemistry, Biochemical applications

Prof. Dr. Kimihiko Hirao
Department of Applied Chemistry, Graduate School of Engineering, University of Tokyo, Tokyo, 113-8656, Japan
Tel & Fax : +81-3-5841-7241
E-mail: hirao@qcl.t.u-tokyo.ac.jp
http://www.appchem.t.u-tokyo.ac.jp/appchem/labs/hirao/
Keywords: ab initio electronic structure theory, correlation effects, density functional theory, relativistic effects

Prof. Dr. Ivan Hubac
Faculty of Mathematics and Physics  Comenius University, 84215 Bratislava, Slovakia
Tel. 421-7-65428100, Fax. 421-7-65425882
E-mail: hubac@fmph.uniba.sk or hubac@dcs.fmph.uniba.sk
Keywords: ab initio methods, electron correlation ( closed shell, open shell, quasidegenerate states), non-adiabatic effects, electron-phonon interaction

Prof. Dr. Hanspeter Huber
Institut für Physikalische Chemie, Klingelbergstrasse 80, 4056 Basel, Switzerland
Tel: 41 61 267 38 30, Fax: 41 61 267 38 55
E-mail: Hanspeter.Huber@unibas.ch
http://www.chemie.unibas.ch/~huber
Keywords: computer simulations of liquids, simulation of solvent effects

Prof. Dr. Francesc Illas
Facultat de Química, Departament de Quimica Fisica, Universitat de Barcelona, C/ Marti i Franques 1, 08028 Barcelona, Spain
Tel. 34-93-402 1229, Fax. 34-93-402 1231
E-mail: francesc.illas@ub.edu
http://www.qf.ub.es/c1/xino.html
Keywords: Electronic structure, metal-support interaction, metal surfaces, magnetic coupling, DFT, MCSSCF, CI, surface reactions, oxide surfaces,
carbides

Prof. Dr. Sabre Kais
Department of Chemistry, 1393 Brown Building, Purdue University, West Lafayette, Indiana 47907,  USA
Tel: (765) 494-5965, Fax: (765) 494-0239
E-mail: kais@power1.chem.purdue.edu
http://power1.chem.purdue.edu/kais/
Keywords: Electronic Structure Calculations, Finite Size Scaling, Quantum Phase Transitions, Quantum Entanglement and Quantum Information

Prof. Dr. Uzi Kaldor
School of Chemistry, Tel Aviv University, 69978 Tel Aviv, Israel
Tel. 972-3-6408590, Fax. 972-3-6428273
E-mail: kaldor@jade.tau.ac.il
http://www.tau.ac.il/chemistry/kaldor/,http://www.tau.ac.il/~kaldor
Keywords: Quantum chemistry, electron correlation, relativistic effects, superheavy elements, coupled cluster methods

Dr. Jerome Karle *
Laboratory for the Structure of Matter, CODE 6030, Naval Research Laboratory, Washington, D.C. 20375-5341, USA
Tel: +1 202-767-2665; Fax: +1 202-767-0953
E-mail: williams@harker.nrl.navy.mil
Keywords: X-Ray crystallography, molecular structure

Prof. Dr. Venceslav Kaucic
National Institute of Chemistry & University of Ljubljana, P. O. Box 660, 1001 Ljubljana, Slovenia
Tel: +386 1 4760-256 , Fax: +386 1 4259-244
E-mail: slavko.kaucic@KI.si
http://www.ki.si
Keywords: Zeolites, Microporous and Mezoporous Materials, X-ray Crystallography

Dr. Edward C. Kirby
14 Lower Oakfield; Pitlochry Perthshire PH16 5DS Scotland U.K
Tel & Fax 0044 1796 473 211
E-mail: ekirby@cix.compulink.co.uk
Keywords: graph theory, topology, nanotubes, toroidal, benzenoid, azulenoid, pentaheptite, model, modelling

Prof. Dr. Jerzy Konarski
Head of Laboratory of Theoretical Spectroscopy and Theoretical Chemistry, President of the Polish Chemical Society, Faculty of Chemistry, A.Mickiewicz University of Poznan, Grunwaldzka 6, PL-60-780 Poznan, Poland
Tel. (+4861)86-99-181 ext.461, Fax. ( +4861)86-58-008, (+4822)83-11-304(Office of the President of Polish Chemical Society), Mobil phone (48)604-525-166
E-mail: konarski@ROVIB.amu.edu.pl
Keywords: computational chemistry, ab initio methods, potential energy surfaces, DNA fragments, biomolecules

Prof. Dr. Antonio Lagana
Dipartimento di Chimica, Universita' di Perugia, Via Elce di sotto 8, I-06123 Italy
Tel. +390755855527, Fax. +390755855606
E-mail: lag@unipg.it
http://www.chm.unipg.it/chimgen/mb/theo1/group.html
Keywords: quantum reactive scattering, semiclassical treatments, Molecular dynamics, Parallel computing, Molecular virtual reality, A priori molecular simulators

Prof. Dr. Erik Larsen
Chemistry Department, The Royal Veterinary and Agricultural University, Thorvaldsensvej 40, DK-1871 Frederiksberg, Denmark
Tel: + 45 35 28 24 09, Fax: + 45 35 28 23 98
E-mail: Erik@KVL.DK
http://www.kemi.kvl.dk/~erikl
Keywords: Bioinorganic chemistry, thermodynamics of coordination,  application of density functional theory to metal compounds, natural and magnetic circular dichroism spectroscopy

Prof. Dr. Yuan-Tseh Lee **
Academia Sinica, 128, Sec. 2, Yen-Chiu-Yuan Road, Nankang, Taipei 115, Taiwan, R.O.C
Tel: 886-2-2789-9404, Fax: 886-2-2785-3852
E-mail: ytlee@gate.sinica.edu.tw
http://www.iams.sinica.edu.tw
Keywords: Physical Chemistry, Chemical Kinetics, Reaction Dynamics and Photochemistry

Dr. Danuta Leszczynska
FAMU-FSU College of Engineering, Department of Civil and Environmental Engineering, 2525 Pottsdamer Street, Tallahassee, FL 32310, USA
Tel: 850-410-6119, Fax. 850-410-6142
E-mail: danuta@eng.fsu.edu
http://myprofile.cos.com/dleszczynska  or
http://www.eng.fsu.edu/departments/civil/research/arsenicremedia/index.htm
Keywords:  separation, biochemical and physical mechanisms in living systems, in situ oxidation, magnetic field: in vivo and in situ applications, fate and transport of heavy metals in environment

Prof. Dr. Can Li
Director, State Key Laboratory of Catalysis, Dalian Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China
Tel:86-411-4379070, Fax: 86-411-4694447
E-mail: canli@ms.dicp.ac.cn
http://www.canli.dicp.ac.cn
Keywords: Catalysis, Surface Chemistry, Spectroscopy (Infrared, Raman and Fluorescence), Chirality,Photocatalysis, Environmental and Green Chemistry, and Renewable Energy

Dr. Xian-Guo Li
College of Chemistry & Chemical Engineering, Ocean University of Qingdao, Qingdao 266003, P. R. China
Tel: 86 532-2032482, ext. 8318, 86 136 876 78572 (Mobile), Fax: 86 532-2032483
E-mail: lixg@mail.ouqd.edu.cn
Keywords: nanoparticles, atmospheric aerosols, environmental impact, catalysis

Prof. Dr. Wolfgang Linert
Institute of Applied Synthetic Chemistry, Vienna University of Technology, Getreidemarkt 9/153, A-1060 Wien, Austria, Europe
Tel. +43 -1-58801-15350, Fax. +43 -1 -58801-15399
E-mail: wlinert@mail.zserv.tuwien.ac.at
http://www.ias.tuwien.ac.at/research/fgwl/
Keywords: Thermal and optical Spin-State Transitions, Molecular Magnets, Isokinetic Relationships, Compensation Effect, Material Science

Prof. Dr. Yurii E. Lozovik
Head of Department of Nanophysics, Institute for Spectroscopy, Russian Academy of Sciences, Troitsk, Moscow region,142190, Russia
Tel.(+7)(095) 334 08 81, Fax. (+7)(095) 334 08 86
E-mail: lozovik@isan.troitsk.ru or lozovik@mail.ru
Keywords: Molecular dynamics, path-integral Monte Carlo, clusters, nanoparticles, nanotubes,nanostructures,phase transitions; electron correlation, quantum dynamics, material science,optics, ultrafast phenomena, density functional theory (DFT),chemical graph theory, ab-initio potential energy curves

Dr. Carl David Nager
ECBI, Basel, Switzerland
Tel. +41 76 515 5046, Fax. +1 815 846 3827
E-mail: nager@mdpi.org
http://www.mdpi.org/mdpiboard.htm
Keywords: chemoinformatics, bioinformatics, IT application and integration to pharmaceutical R&D

Prof. Dr. Minh Tho Nguyen
Department of Chemistry, University of Leuven, Celestijnenlaan  200F,  B-3001 - Leuven, Belgium
Tel. 32-16-327361, Fax. 32-16-327992
E-mail: minh.nguyen@chem.kuleuven.ac.be
Keywords: Quantum chemical calculations, Atmospheric chemistry, combustion chemistry, Gas phase ion chemistry, DNA Bases, Chemical Kinetics,  Low-Coordinated Phosphorus chemistry, Conceptual Density Functional Theory, Polynitrogen Compounds, Reactive Intermediates, Theoretical Thermochemistry

Dr. Ebbe Nordlander
Inorganic Chemistry 1, Chemical Center, Lund University, Box 124, SE-221 00 Lund, Sweden
Tel: +46 46 222 8118, Fax: +46 46 222 4439
E-mail: Ebbe.Nordlander@inorg.lu.se
http://wwwinorg.inorgk1.lu.se/proj.htm#proj6
Keywords: bioinorganic chemistry, organometallic chemistry, model complex, coordination chemistry, biomimetics, cluster

Dr. Jesus Vicente de Julián Ortiz
Red de Investigación de Centros de Enfermedades Tropicales, Facultad de Farmacia, Universidad de Valencia, Av. Vicent Andrés Estrellés, 046100 Burjasot, Valencia, Spain
Tel. 34(9)63544291, Fax. 34(9)63544892
E-mail: julian@goya.combios.es
http://iqc.udg.es
Keywords: molecular topology, topological indices, drug design, virtual combinatorial synthesis, virtual screening, linear models, QSAR, statistical validation, antituberculosis, antimalarial, antialzheimer, antineoplastic, telomerase inhibitors, insecticides, 5-HT receptors ligands

Prof. Dr. Sourav Pal
Physical Chemistry Division, National Chemical Laboratory, Pune 411 008, India
Tel: (off) +91 20 25890754, (res) +91 20 25893850, Fax: +91 20 25893044
E-mail: pal@ems.ncl.res.in
http://www.ncl-india.org
Keywords: Electronic structure and spectra; Quantum chemistry; Ab initio molecular dynamics; Coupled-cluster theory; reactivity descriptors; Local hard-soft-acid-base principle; Local softness and fukui function

Prof. Dr. Piotr Petelenz
K.Guminski Department of Theoretical Chemistry, Jagiellonian University, Ingardena 3, 30-060 Krakow, Poland
Tel. (0-48-12) 633 63 77 ext. 2212  (office), Fax. (0-48-12) 634 05 15, tel. (0-48-12) 632 54 56 (home)
E-mail: PETELENZ@Trurl.ch.uj.edu.pl
Keywords: molecular crystals, molecular spectroscopy, vibronic coupling, electro-optical properties, excitons, charge-transfer states

Prof. Dr. Charles L. Perrin
Department of Chemistry and Biochemistry, University of California-San Diego, La Jolla, CA 92093-0358, USA
Tel: 858-534-2164, Fax: 858-822-0386
E-mail: cperrin@chem.ucsd.edu
Keywords: Physical-organic chemistry: stereoelectronic and anomeric effects; hydrogen bonding; isotope effects; ionic solvation, structural effects on organic reactivity

Dr. Lars G. M. Pettersson
FYSIKUM, AlbaNova, Stockholm University, S-106 91 Stockholm, Sweden
Tel: +46-8-553 787 12, Mobile: +46-(0)70-495 19 90, Fax: +46-8-553 784 4
E-mail: lgm@physto.se
http://www.physto.se/~xes/
Keywords: Chemisorption, heterogeneous catalysis, x-ray spectroscopies, chemical bonding, Hydrogen bond, water

Dr. Michel Petitjean
ITODYS (CNRS, UMR 7086), 1 rue Guy de la Brosse, 75005 Paris, France
Tel: +33 (0)1 44 27 48 57, Fax: +33 (0)1 44 27 68 14
E-mail: petitjean@itodys.jussieu.fr or ptitjean@ccr.jussieu.fr
http://petitjeanmichel.free.fr/itoweb.petitjean.html or http://petitjeanmichel.free.fr/itoweb.petitjean.freeware.html
Keywords: symmetry and chirality measures, mathematical theory of chirality, cheminformatics, similarity, docking, chemical data banks, graph data bases, QSAR/QSPR, pattern recognition, data analysis

Dr. Ana Proykova
Dept.of Atomic Physics, University of Sofia, 5 James Bourchier Blv., Sofia-1126, Bulgaria
Tel. +359-(0)2-6256 828
E-mail: anap@phys.uni-sofia.bg
http://cluster.phys.uni-sofia.bg:8080/
Keywords: computational, physics, scientific visualisation and animations, nanotubes, optimization of molecular structures

Prof. Dr. Laszlo I. Simandi
Department of Catalysis, Institute of Chemistry, Chemical Research Center, Hungarian Academy of Sciences, H-1525 Budapest, P.O. Box 17
Tel: (36-1) 325-9177, Fax: (36-1) 325-7554
E-mail: simandi@cric.chemres.hu
http://www.chemres.hu/KKKI/groups/catalysis
Keywords: Mechanisms of inorganic reactions, Kinetics in solution, Biomimetic oxidations, Enzyme models, Catecholase models, Oxygenase models, Bioinorganic catalysis, Catalysis by metal complexes

Dr. Humberto Soscun
(1) Laboratorio de Química Inorgánica Teórica, Dep. Química, Fac. Exp. Ciencias, La Universidad del Zulia, Ap. 526, Grano de Oro, Módulo  No.2, Maracaibo, Venezuela
Tel: 58 261 7598125; Fax: 58 261 7311348
E-mail: hsoscun@sinamaica.ciens.luz.ve; hsoscun@hotmail.com
http://clinic.mcafee.com/clinic/ibuy/campaign.asp?cid=3963
Keywords: Computational chemistry, theoretical inorganic chemsitry, chemical physics, physical chemistry, zeolites, catalysis, linear and nonlinear optical problems, weak interactions

Prof. Dr. Stephan P. A. Sauer
Chemistry Laboratory IV, Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø, Denmark
Tel. +45-35320268, Fax. +45-35320299
E-mail: sauer@kiku.dk
http://fyskem.ki.ku.dk/sauer
Keywords: Quantum chemistry, electron correlation, ab initio calculations of molecular properties: NMR indirect nuclear spin-spin coupling, NMR chemical shift, polarizability, ESR hyperfine coupling, electronic excitation energy, oscillator strength, rotational g-factor, spin-rotation constant

Prof. Robert Q. Topper
Department of Chemistry, Medical Technology and Physics, Monmouth University, 400 Cedar Avenue, West Long Branch, NJ 07764-1898; USA
Tel. 1+(732)571-4418 (voice); Fax. 1+(732)263-5213
E-mail: rtopper@monmouth.edu
http://www.monmouth.edu/~rtopper
Keywords: atomic and molecular nanoclusters, superheated gases, DNA-carcinogen and nucleotide-carcinogen adducts, phase transitions, inorganic materials, Fourier path-integral Monte Carlo calculations, molecular dynamics, reaction rate theory, nonlinear dynamics, chaos theory

Prof. Dr. Chun-che Tsai
Department of Chemistry, Kent State University, Kent, Ohio 44242-0001, USA
Tel: (330) 672-2989, Fax: (330) 672-3816
E-mail: ctsai@kent.edu
http://dept.kent.edu/chemistry/Faculty/Research/tsai.htm
Keywords: Drug-Bioreceptor Interactions, Quantitative Structure-Activity Relationships and Drug Design

Prof. Dr. A. J. C. Varandas
Departamento de Quimica, Universidade de Coimbra, 3004-535 Coimbra, Portugal
Tel. 039-239-852080, office: 239-835867, Fax: 239-835867/827703
E-mail: varandas@qtvs1.qui.uc.pt
http://tcc.qui.uc.pt
Keywords: generalized Born-Oppenheimer approximation, geometric phase effect, potential energy surfaces, electronic structure calculations, intermolecular forces, molecular dynamics, chemical dynamics, atmospheric ozone, ozone deficit problem,  HO_x dilemma

Dr. Alexandre Varnek
Institut de Chimie, 4, rue B. Pascal, Strasbourg 67000, France
Tel.+33- 3.90.24.15.60, Fax. +33-3.90.24.15.89
E-mail: varnek@chimie.u-strasbg.fr
Keywords: QSAR/QSPR, virtual high throughput screening, "in silico" design, databases development; "host-guest" complexes

Dr. Lichang Wang
Department of Chemistry and Biochemistry, Southern Illinois University, Carbondale, IL 62901, USA  
Tel: 618-453-6476, Fax: 618-453-6408
E-mail: lwang@chem.siu.edu
http://www.science.siu.edu/chemistry/wang/
Keywords: Theoretical/computational chemistry, reaction dynamics, proton/electron transfer processes, heterogeneous catalysis, transition metal clusters/nanoparticles

Prof. Dr. Rubin Wang
College of Science, Donghua University, West Yan-An Road, 1882, Shanghai 200051, People's Republic of China
Tel: +021-62373742, Fax: +021-62373137
E-mail: rbwang@dhu.edu.cn or rbwang3@sohu.com
http://www.dhu.edu.cn
Keywords: Nonlinear stochastic differential equations, dynamics of complex system, neural information processing, neurodynamics, ion channel dynamics, machine theory of biomolecules and its application in life cell, dynamics of population of biomolecules, stochastic resonance, LTP and LTD, fractal theory

Prof. Dr. Jacques Weber
Department of physical chemistry, University of Geneva, 30 quai Ernest-Ansermet, 1211 Geneva 4, Switzerland
Tel: +41.22.702.6530 (direct), +41.22.702.6529 (secretary), Fax: +41.22.702.6518
E-mail: Jacques.Weber@chiphy.unige.ch
http://lcta.unige.ch
Keywords: Computational chemistry, molecular graphics, DFT, Constrained Electron Density (KSCED), modelling of complex systems, organometallic/inorganic systems and surfaces

Dr. Zdenek Wimmer
Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Flemingovo namesti 2, CZ-16610 Prague 6, Czech Republic Tel:  (+420 2) 2018 3281 or 2018 3219, Fax: (+420 2) 2018 578
E-mail: wimmer@uochb.cas.cz
http://www.uochb.cas.cz
Keywords: Insect pest management; juvenoid; juvenogen; biocatalysis; enzymic reaction; enzymic resolution; enzymic glycosylation; microorganism; asymmetric synthesis; esterification; chemical glycosylation; Koenigs-Knorr reaction

Notes:
*Winner of the 1985 Nobel Prize in Chemistry
**Winner of the 1986 Nobel Prize in Chemistry


IJMS (ISSN 1422-0067)
Last change: 1 April  2004, Webmaster: lin@mdpi.org
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