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Electronic Journal of Theoretical Chemistry (EJTC)
Website of the Electronic Journal of Theoretical Chemistry. This title was discontinued in the year 1997. [Detailed information]
Journal of Chemical Theory and Computation (JCTC)
Website of the Journal of Chemical Theory and Computation. [Detailed information]
Journal of Mathematical Chemistry
Website of the Journal of Mathematical Chemistry. [Detailed information]
Journal of Molecular Structure: THEOCHEM
Website of the Journal of Molecular Structure: THEOCHEM. [Detailed information]
Journal of Structural Chemistry
Website of the Journal of Structural Chemistry. [Detailed information]
A Brief Review of Elementary Quantum Chemistry
This website gives an overview of quantum chemistry in an online book like form. The most useful formulae with their brief description are available in corresponding chapters. You can find physical and mathematical background of quantum mechanics, Schrödinger... [Detailed information]
Tutorial Statistical Mechanics and Simulation
This website provides an online-book like web tutorial for statistical mechanics and molecular simulation. The web tutorial is offered in two formats: LATEX2HTML or JSMATH format. After a brief overview and technical matters you can find topics about the Monte... [Detailed information]
ArgusLab: A molecular modeling, graphics, and drug design program
ArgusLab is visualization and calculation software for simulation of biological systems and their interaction with external substances such as a drug molecule or an allosteric group. In this software you can use docking engines like GADock, ArgusDock and the A... [Detailed information]
TINKER - Software Tools for Molecular Design
The TINKER molecular modelling software is a general package for molecular mechanics and dynamics, with some special features for biopolymers. TINKER has the ability to use any of several common parameter sets, such as Amber (ff94, ff96, ff98 and ff99), CHARMM... [Detailed information]
VMD: Visual Molecular Dynamics
VMD is a molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting. VMD provides the ability to render molecular scenes using external programs such as ray tracers and commerci... [Detailed information]
ChemgaPedia - Theoretical Chemistry
ChemgaPedia is an online encyclopedia offering over 1500 multimedia teaching and learning units for all areas of Chemistry and related subjects. Presented in different sections of chemistry topics a student can work with compact virtual learning units or exten... [Detailed information]
Molecular Modelling for Organic Chemistry
The website of Molecular Modelling for Organic Chemistry offers descriptions of different methods in molecular modelling and their use in organic chemistry. Each topic provides interactive and 3D dimensional examples using Java applets. The described methods a... [Detailed information]
Molecular Simulation
This website offers comprehensive information about the lectures Molecular Simulation by David Kofke. The website provides detailed lecture scripts with further information and exercises with solutions. Furthermore you can access a huge collection of Java appl... [Detailed information]
Molecular symmetry: An interactive guide
This website provides a short introduction into symmetry operations, tutorials and exercises with several 3D animations of molecular symmetry for instructional use along with some information about assigning a symmetry group. The 3D animations are presented wi... [Detailed information]
SHMO: The Simple Hückel Molecular Orbital Theory Calculator
SHMO is an interactive program (Java Applet) to perform electronic structure calculations of a molecule within the Simple Hückel Molecular Orbital approximations. The user can sketch the desired structure and after optimization can view energy levels, ... [Detailed information]
