Computational, Theoretical and Quantum Chemistry Resources Contact Webmaster
Computational and Theoretical Chemistry

Agricultural
Chemistry
Analytical
Chemistry
Biochemistry
Chemical
Education 
Chemical
Engineering
Computational
Chemistry
Cosmochemistry
Compounds
Clinical
Chemistry
Electrochemistry
The Elements
Environmental
Chemistry
Fuel
Chemistry
General
Chemistry
Geochemistry 
Inorganic
Chemistry
Material
Science
Medicinal
Chemistry
Molecular
Modelling
Nuclear
Chemistry
Organic
Chemistry
Periodic
Tables
Photochemistry
Physical
Chemistry
Radiochemistry
Solid State
Chemistry
Theoretical
Chemistry
Thermochemistry


July 2-8,1998:

International Euroconference in Quantum Physics
Montpellier, France

September 2-5, 1998:

1998 Conferences on Computational Physics
Granada, Spain


Abstracts

Mathematical Challenges from Theoretical/Computational Chemistry


Journals

Electronic Journal of Theoretical Chemistry Structure and Interactions

The International Journal of Quantum Chemistry

Journal of Computational Chemistry

Journal of Mathematical Chemistry

Reviews in Computational Chemistry

Theoretica Chimica Acta


Resources

Computational Chemistry Modules

Montevideo Theoretical Chemistry Laboratory
English & Spanish

Computational Chemistry List


Research Groups

Applied Quantum and Theoretical Chemistry Group
Uppsala Universitet

Case Group
The Scripps Research Institute

UK Collaborative Computational Project 6

Center for Computational Quantum Chemistry
University of Georgia

Computational Solid State Chemistry Group
Bath University

Computational Solid-State Chemistry Group
University of Bristol

Doren Group
University of Delaware

Findenegg Research Group

Paul J. Schupf Computational Chemistry Laboratory
Colby College

Theoretical Chemical Physics, Dynamics
Research School of Chemistry
Australian National University

Theoretical Chemistry Group
Bergische Universität Gesamthochschule Wuppertal.

Theoretical Chemistry Group
Debye Institute

Theoretical Chemistry Group
Kent State University

Theoretical Chemistry Group
Northwestern University

Theoretical Chemistry Laboratory
Korean Advanced Institute of Science & Technology

Theoretical Chemistry and Molecular Physics
Los Alamos National Laboratory

Theoretical Chemistry ResearchThe University of Edinburgh

Theoretical Chemistry
University of Bergen

Theoretical and Computational Chemistry Centre
Dalhousie University

Theoretical Organic Chemistry
University of Bath

Theoretical Organic Chemistry, Computational Quantum Chemistry
Research School of Chemistry
Australian National University

Theoretical Pysical Chemistry Laboratory
Korean Advanced Institute of Science & Technology


Societies

World Association of Theoretically Oriented Chemists


Software

ATMOL
An integrated suite of programs for the calculation of molecular electronic wavefunctions and their properties.

GAMESS-UK
A general purpose ab initio molecular electronic structure program for performing SCF- and MCSCF-gradient calculations, together with a variety of techniques for post Hartree Fock calculations.

HBPlus
Hydrogen Bond Calculation Program

TURTLE
A program designed to perform Valence Bond Self Consistent Field (VBSCF) calculations.