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Biochemistry made visible
This website offers a compilation of 3D models of macromolecules relevant for Biochemistry. The 3D models can be viewed with the Chime plugin. The display can be changed in many ways. Each molecule comes with some background information. [Detailed information]
ACH-Models in Chemistry
An international forum for all aspects of chemistry-related models and modelling. Publication ceased with Vol. 137 (2000). [Detailed information]
Calphad
Website of the journal Calphad. [Detailed information]
Chemometrics and Intelligent Laboratory Systems
Website of journal the Chemometrics and Intelligent Laboratory Systems. This title was incorporated into Laboratory Automation & Information Management in the year 2000. [Detailed information]
Computational Biology and Chemistry
The journal Computational Biology and Chemistry publishes papers on all fields relating computers and computational methods to the chemical and biochemical sciences. The journal is a multidisciplinary publication, covering the application of information scienc... [Detailed information]
Computers & Chemical Engineering
Website of the journal Computers & Chemical Engineering. [Detailed information]
TeleSpec - IR Database and IR Spectra Simulation on the WorldWideWeb
The website of the TeleSpec project from the Computer-Chemie-Centrum of the University of Erlangen-Nürnberg provides a tool for the simulation of infrared spectra using artificial neural networks and new molecular representations of structures, especially for... [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]
Chemistry Software Projects on SourceForge.net
This website provides a collection of open source software projects related to chemistry, which are hosted on SourceForge.net. Here you can find links to the web sites of projects like Bioclipse, Jmol, Chemistry Development Kit, OpenBabel and others. [Detailed information]
FirstGlance in Jmol
FirstGlance in Jmol is a user interface for the Jmol java applet designed to enable the readers of scientific journals to see the main features of newly published 3D models in a few clicks, without installing anything, and in all popular web browsers and compu... [Detailed information]
Java Applets for chemistry
This website offers a collection of java applets relevant for chemistry, which can be found on the Internet. Some java applets simulate chemical processes or laws others can be used to calculate or transform value. The website is part of the portal Edinformati... [Detailed information]
CHEMICAL STRUCTURE ASSOCIATION TRUST
The Chemical Structure Association Trust (CSA Trust) is a registered charity which promotes education, research and development in the field of storage, processing and retrieval of information about chemical structures, reactions and compounds. The Website of ... [Detailed information]
Mol4D, Molecules in four dimensions
The web site Mol4D Molecules in four Dimensions describes several topics from general and organic chemistry using 3D animations. This website consists of two parts: Tutorial and Editor. The Tutorial part deals with 3D models of mole... [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 aspects of thermal conductivity
This Webpage uses molecular modelling to calculate thermal conductivities. You will see which properties influence the ability of different materials to conduct energy, as well as how the thermal conductivity can be calculated from knowledge of the molecular-l... [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]
Vapour-Liquid Equilibria (VLE)
This website offers a simulation module for molecular visualization of the vapour and liquid phase equilibrium corresponding to real binary mixtures. The intent is that users can get a better feel for the relationship between the interactions between molecules... [Detailed information]
CONFCHEM Conferences on Chemistry
The website CONFCHEM (CONFerences on CHEMistry) is devoted to on-line conferences in chemistry education and research. CONFCHEM is organized by the Committee on Computers in Chemical Education (CCCE) of the American Chemical Society Division of Chemical Educat... [Detailed information]
The Computational Chemistry List (CCL)
The Computational Chemistry List (CCL) is an e-mail exploder which allows computational chemistry researchers from around the world to exchange information and experiences. This list is not restricted to any particular chemistry software or methodology. The we... [Detailed information]
