Editors
and Editorial Board
Editor-in-Chief
Prof.
Dr. Claude A. Daul
Department of Chemistry, University of Fribourg
9 Ch. du Musee, CH-1700 Fribourg, Switzerland
Phone: +41-26-300 8741, Fax: +41-26-300 9738
E-mail: Claude.Daul (a) unifr.ch
http://www-chem.unifr.ch/cd/cdaul
Keywords: Electronic structure calculation, calculation of
properties,
of molecules with open d- and f-shells, DFT, Ligand
Field Theory,
development of computational methods
Dr. Derek J. McPhee
E-mail: mcphee (a) mdpi.org
Publisher and Managing Editor
Dr. Shu-Kun
Lin
Molecular
Diversity Preservation International (MDPI), Matthaeusstrasse 11,
CH-4057 Basel, Switzerland
Tel. +41 61 683 77 34, Mobile +41 79 322 3379, Fax +41 61 302 8918, Skype mdpibasel-lin
E-Mail: lin (a) 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
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 (a) 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 (a) 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. Steven Bachrach
Department of Chemistry, Trinity University, 1 Trinity Place, San
Antonio, TX
78212
Tel. (210)999-7379, Fax: (210)999-7569
E-mail: sbachrach (a) trinity.edu
http://www.trinity.edu/sbachrac/
http://www.ijc.com/IJC/statescope2.html
Keywords: Theoretical organic chemistry; electron density
analysis;
theoretical determination of reaction mechanisms, development of
Internet resources
for chemists
Dr.
Jeffrey H. Boatright
Lab B-5500, Emory Eye Center
1327 Clifton Road, N.E.
Atlanta, GA 30322, USA
FAX numbers: Preferred: (404) 778-2231. Alternate: (404) 778-4143
E-mail: jboatri (a) emory.edu
http://userwww.service.emory.edu/~jboatri/
Keywords: Molecular
Vision,
Retina-specific gene regulation.
Oligonucleotide-directed DNA repair gene therapy. Transcleral
ionotophoretic
delivery of pharmaceuticals and DNA constructs. Bile acids and other
endogenous
anti-apoptotics in treatment of retinal degenerations and glaucoma.
Development
of new animal models of retinal degeneration. Quantum-dot,
adaptive-optics,
confocal scanning-laser ophthalmoscopy
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: (420) 26605-2011, Fax: (4202)-858-2307
E-mail: petr.carsky (a) 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
Prof.
Dr. Eduardo A. Castro
Former Editor-in-Chief (January 2005 - May 2005)
INIFTA, Suc.4, C.C. 16
La Plata 1900, Buenos Aires
ARGENTINA
Phone: 54-221-4257430
FAX: 54-221-4254642
E-mail: castro (a) quimica.unlp.edu.ar (or jubert (a) arnet.com.ar or
direccion (a) inifta.unlp.edu.ar)
http://www.inifta.unlp.edu.ar/web_ingles/pag_internas/ingles.html
Keywords: QSAR/QSPR Theory - Molecular Electronic Structure -
Scientific
Education - Scientific and Technological Research Management and
Organization -
Scientific Communication - The Relationship Between Science and
Humanities -
Mathematical and Physics and Mathematical Chemistry - General Physical
Chemistry - Computational Chemistry - Science Divulgation
Dr.
Abhijit Chatterjee
AP Material Science Application Scientist, Accelrys, Tokyo Office, Japan
Tel: 03-3578-3861, Fax:03-3578-3873
E-mail: achatterjee (a) accelrys.com
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 (a) univ-lyon1.fr or cherm (a) 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 (a) 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 (a) 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. Gunars Duburs
Latvian Institute of Organic synthesis, Aizkraukles Street 21
Riga LV
1006, Latvia
Tel: 371 7551232, Fax: 371 7550338
E-mail: gduburs (a) 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
Prof. Dr. Jairton Dupont
Laboratory of Molecular Catalysis, Institute of Chemistry - UFRGS, Av. Bento Goncalves, 9500 Porto Alegre, 91501-970 RS Brazil
Tel. + 55 51 33086321, Fax: +55 51 33087304
Tel: 371 7551232, Fax: 371 7550338
E-mail: dupont (a) iq.ufrgs.br
Keywords:
Department of
Chemistry, University of Kalyani,
Kalyani-741235, India
Fax: +91-33
25828282
E-Mail:
dcghosh1 (a) rediffmail.com
Keywords: Quantum Chemistry; Symmetry and Origin of charge transfer and binding; Quest for the origin of barrier to internal rotation and inversion; Localization and computation of electronic structure and environment dependent hybridization; DFT; density functional reactivity descriptors, global hardness, local softness and fukui function; Periodicity and computation of absolute sizes of atoms, ions and static atom polarizability, hardness and electro negativity; Dipole correlation of electronic structure; QSPR and QSAR in terms of density functional descriptors
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 (a) 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. 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 (a) 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 (a) 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
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 (a) harker.nrl.navy.mil
Keywords: X-Ray crystallography, molecular structure
Department of
Chemistry and Biochemistry, Northern
Illinois University, DeKalb, Illinois 60115-2862, U.S.A.
E-Mail:
dkevill (a) wpo.cso.niu.edu or dkevill (a) niu.edu
Keywords: Reaction mechanism in organic chemistry, solvolysis
reactions,solvent
nucleophilicity,mechanism of nucleophilic attack at acyl carbon,
phosphorus,
sulfur
Korea Research
Institute of Bioscience and
Biotechnology, Systems Microbiology Research Center, Deajeon 305-806,
South
Korea
Tel:
+82-42-860-4135; Fax: +82-42-860-4597
E-Mail:
dikim (a) kribb.re.kr
Keywords: Bioinformatics,
Database
Development, Comparative Genomics, Cheminformatics,
Molecular Modeling, Computer Aided Drug Design
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 (a) ROVIB.amu.edu.pl
Keywords: computational chemistry, ab initio methods, potential
energy
surfaces, DNA fragments, biomolecules
Prof.
Dr. Tadeusz Marek Krygowski
Department of Chemistry, University of Warsaw, 02 093 Warsaw, ul.
Pasteura 1,
Poland
tel. 48 22 8222892, fax. 48 22 8222892
E-mail: tmkryg (a) chem.uw.edu.pl
http://crystal.chem.uw.edu.pl/pracown/tmk/tmk.htm
Keywords: structural organic chemistry, quantum chemical
modeling,
solvent and substituent effects, geometry as a source of chemical
information,
pi-electron delocalization and definition of aromaticity
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 (a) gate.sinica.edu.tw
http://www.iams.sinica.edu.tw
Keywords: Physical Chemistry, Chemical Kinetics, Reaction
Dynamics and
Photochemistry
Prof.
Dr. Jerzy Leszczynski,
Founding Editor-in-Chief and Former Editor-in-Chief (up to January
2004)
Department of Chemistry, Jackson State University, Jackson , MS 39217,
USA
Tel. (601)979-3482, Fax. (601)979-7823
E-mail: jerzy (a) ccmsi.us
http://ccmsi.us/leszczynski/
Keywords: computational chemistry, ab initio methods, potential
energy
surfaces, DNA fragments, biomolecules
Prof. Dr. Genxi Li
Department of Biochemistry,
Phone: +86-25-83593596, Fax: +86-25-83592510
E-mail: genxili (a) nju.edu.cn
Website: http://genxililab.nju.edu.cn
Keywords: Molecular interaction, molecular recognition, protein,
biologically active small molecules, medicinal herb molecules,
biosensor,
nano-biotechnology, bioelectrochemistry
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 (a) 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
Dr. Clifford Louime
Research Associate, Grapes Breeding and Genetics, Center For
Viticulture and
Small Fruit Research, Florida A&M University, 6505 Mahan Drive,
Tallahassee, FL 32315
Tel. +43 -1-58801-15350, Fax. +43 -1 -58801-15399
E-Mail: clifford.louime (a) famu.edu
http://www.famu.edu/oldsite/acad/colleges/cesta/vit-sciences.htm
Keywords: Molecular Microbiology, Biomass Degradation, Breeding
and
Genetics
Chemistry
Department, North-West University, P/Bag
X2046 Mafikeng, Republic of South Africa
Tel: +27(0) 18
389 2527; Fax: +27(0) 18 389 2052
E-Mail:
Bassie.Marvey (a) nwu.ac.za
Keywords: Catalytic
hydrolysis of
phophodiester bonds, Olefin metathesis, Catalysis by metal carbenes,
Esterification, Chromatographic and spectroscopic studies of fatty
acids and
esters
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 (a) ensta.fr, muguet (a) mdpi.org
http://www.ensta.fr/~muguet/
Keywords: Computational chemistry, water model, scientific
information,
nanotubes
Prof.
Dr. Cemil Ogretir
Department of Chemistry, Faculty of Arts&Sciences,Eskişehir
Osmangazi
University, 26480 Eskişehir, Turkey
Tel: +90 222 239 37 50 ext.2352, Fax: +90 222 239 35 78
E-mail: cogretir (a) ogu.edu.tr
http://ogu.edu.tr
Keywords: Synthesis of Biologically Active Heterocyclics,
Linear Free
Energy Relationship, Quantitative Structure-Activity
Relationships(QSAR) and
Quantitative Structure-Property Relationships (QSPR)and Drug
Design
by Computation
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 (a) 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 (a) 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. 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 (a) chem.ucsd.edu
Keywords: Physical-organic chemistry: stereoelectronic and
anomeric
effects; hydrogen bonding; isotope effects; ionic solvation, structural
effects
on organic reactivity
Dr.
Yevgeniy Podolyan, Former
Production Editor
Department of Chemistry, Jackson State University, Jackson, MS
39217-0510, USA
Tel: (601) 979-4114, Fax: (601) 979-7823
E-mail: podolyan (a) ccmsi.us
http://ccmsi.us/podolyan/
Keywords: quantum chemistry, computational chemistry, DNA bases,
DNA
base pairs, proton transfer, tautomers, prototropic tautomerism,
spontaneous
pointmutations
Dr.
Ana Proykova
Dept.of Atomic Physics, University of Sofia, 5 James Bourchier Blv.,
Sofia-1126, Bulgaria
Tel. +359 2 8161 828 (office)
E-mail: anap (a) phys.uni-sofia.bg
http://cluster.phys.uni-sofia.bg:8080/
Keywords: computational, physics, scientific visualisation and
animations,
nanotubes, optimization of molecular structures
Laboratory of
Computational and Structural Physical
Chemistry, Chemistry Department, West University of Timisoara,
Pestalozzi Street
No.16, Timisoara, RO-300115, Romania
Tel: +40 256
592633; Fax: +40 256 592620
E-Mail:
mvputz (a) cbg.uvt.ro or mv_putz (a) yahoo.com
Keywords: quantum physical
chemistry, reactivity indices and principles, electronegativity,
density
functional theory, path integrals, enzyme kinetics, QSAR, epistemology
and
philosophy of science
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 (a) 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.
Dr.
Humberto Soscun
Laboratorio de Quimica Inorganica Teorica (LQIT), Departamento de
Quimica,
Facultad Experimental de Ciencias, La Universidad del Zulia, AP. 526,
Grano de
Oro, Maracaibo, Venezuela.
Tel:
(Of.) 58 261 7 598125; (Home) 58 261 7317902; (Cel) 58 414 6113083;
Fax: 58 261 7 598125; 58 261 7 311348.
Email: hsoscun (a) luz.edu.ve; hsoscun (a) yahoo.es; hsoscun (a) hotmail.com
Keywords: Computational chemistry, molecular modelling, DFT,
Computationtal catalysis in zeolites and organometallic reactions,
Nonlinear
Optics, molecues of pharmacologic importance
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 (a) 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. 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 (a) 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 (a) chimie.u-strasbg.fr
Keywords: QSAR/QSPR, virtual high throughput screening, "in
silico" design, databases development; "host-guest" complexes
UMR CNRS 8576,
Glycobiologie Structurale et
Fonctionnelle, University of Science and Technology, 59655 Villeneuve
d’Ascq,
France
E-Mail:
Gerard.Vergoten (a) univ-lille1.fr
Keywords: Molecular Modeling, Empirical Force Fields, Vibrational Spectroscopy, Molecular Dynamics, Computational Chemistry
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 (a) 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: 18 February 2007, Webmaster: Dietrich
Rordorf
© 2007 by Molecular Diversity Preservation
International MDPI), Basel, Switzerland