External Links

• Research
• Electronic Structure
• Groups
• Local Links
• Misc

Research

Online Journals

Journal of Chemical Physics

Physical Chemistry Chemical Physics

Physical Review Letters

Physical Review A

Chemical Physics Letters

Journal of Physical Chemistry A

Journal of Chemical Theory and Computation

Molecular Physics

Theoretical Chemistry Accounts

International Journal of Quantum Chemistry

Arxiv pre-print archive

Other Online Resources

The Royal Society of Chemistry

DOI Article Lookup
The DOI webpages

Web of Knowledge
ISI Web of Knowledge Service for UK Education

WebElements

NIST Fundamental Constants

NIST Scientific and Technical Databases

EMSL basis set exchange

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Electronic Structure

Nobel Lectures by Kohn and Pople for their contributions to the advancement of Electronic Structure Theory; Nobel Laureates in Chemistry 1998.

An authoritive work on Electronic Structure Theory, by Helgaker, Jorgensen and Olsen, Electronic Structure Theory at Wiley

Lecture notes on Electronic Structure Theory by Paul Ayers at McMaster University are available from the Course Website.

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Groups

Computational and Theoretical Chemistry at the University of Durham

Hutson Research Group
Ultracold molecules, Van der Waals complexes, Dynamics of clusters

Wilson Research Group
Molecular Simulation of Liquid Crystals, Polymers and Nanostructured Soft Matter

Collaborators

Geerlings / De Proft Group
Vrije Universiteit Brussel (VUB), Brussels

Helgaker Group
University of Oslo, Norway

O’Hagan Group
University of St. Andrews, Scotland

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Local Links

University Homepage

Chemistry Department Homepage

Library Opac

Library Journals

University Directory

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Misc

Open-source Software

DALTON
DALTON, a molecular electronic structure program

CADPAC
The Cambridge Analytic Derivatives Package

JMOL
An open-source Java viewer for chemical structures in 3D

MOLDEN
A pre- and post processing program of molecular and electronic structure

The GIMP
GNU Image Manipulation Program

INKSCAPE
Open source scalable vector graphics editor

XMING
An X-windows server for Microsoft Windows operating systems

Putty
A free telnet/ssh client

LaTeX
LaTeX-A document preparation system

CTAN
The Comprehensive TeX Archive Network

MiKTeX
A Windows port of LaTeX

MacTeX
A Mac port of LaTeX

Open Source Windows
Excellent Open-source software for Windows

Open Source Mac
Excellent Open-source software for Mac