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CRYSTAL Home Page
Описание: 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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CHEMKED - Chemical Kinetics of Gas Phase Reactions - Databases and Simulation
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User-friendly software uses gamess/gaussian outputs to build molecular orbital energy-level diagrams, UV/VIS spectra, density maps and prepare them for publication
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OpenEye Scientific Software develops software for drug design, molecular modeling, virtual screening and lead-hopping. Areas of expertise include cheminformatics ...
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"Yet Another extended Huckel Molecular Orbital Package". Performs calculations and visualization for both molecular and extended materials in 1, 2, or 3 dimensions ...
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Site critical of Gaussian, Inc.'s licensing practices. Reports allegations of Gaussian banning "competitors" from using their product.
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ChemSW is a provider of chemical inventory managment systems and program software, MSDS systems and chemistry laboratory software.
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Open source program package for calculation of thermodynamic functions from molecular data.
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Announcing ab-initio protein-ligand interaction site and potential ligand prediction technology.
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