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Category List - Main » Science » Chemistry » Software |
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New Sites - Main » Science » Chemistry » Software » Physical and Theoretical |
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Moloc (27th April, 2005) : Molecular Design Software Suite for Irix, Linux, and Windows. Includes features such as structure generation, molecular mechanics, conformational search, molecular dynamics, and similarity analysis. Free for academic users. |
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Extensible Computational Chemistry Environment (27th April, 2005) : Graphical user interface for Linux/Solaris/IRIX with visualization tools and a data management framework for setting up, submitting, and analyzing computational chemistry calculations. |
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CRYSTAL Home Page (27th April, 2005) : Unix program to compute the electronic structure of periodic systems within Hartree Fock, density functional or various hybrid approximations. Documentation, licensing, and downloads available. |
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CONFLEX2000 (27th April, 2005) : Commercial conformational searching and analysis tools for Linux, Mac OS X, and Windows. Compatible w/CAChe, ChemOffice, and Amber. Screen shots, data sheet, ordering, and trial versions available. |
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YAeHMOP (27th April, 2005) : "Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and extended materials in 1, 2, or 3 dimensions. Freely available in source form. |
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Top Sites - Main » Science » Chemistry » Software » Physical and Theoretical |
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YAeHMOP ( ) : "Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and extended materials in 1, 2, or 3 dimensions. Freely available in source form.
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Zeta Potential () : Zeta is a free (GPL) computer program which can be used to calculate the zeta potentials.
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WebMO () : Web interface for the quantum chemistry packages MOPAC, Gaussian, and GAMESS. Free version available for download; pro version also available.
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ADF () : ADF, the Amsterdam Density Functional program for the treatment of complex chemical problems.
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CHEMKIN Collection Software () : Simulates complex chemical kinetics in reacting flow.
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