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pyquante.sourceforge.net - PyQuante: Python Quantum Chemistry — PyQuante 1.6.3 <strong>...</strong>
PyQuante: Python Quantum Chemistry — PyQuante 1.6.3 documentation
Description: "Python Quantum Chemistry" - an open-source suite of programs for developing quantum chemistry methods. Emphasis is on simplicity, rather than speed, but some bottlenecks are written in C.
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Pyquante.Sourceforge.Net
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Site topics:  chemistry
CHEMKED - Chemical Kinetics - Gas Phase Chemical Reactions - ...
CHEMKED - Chemical Kinetics of Gas Phase Reactions - Databases and Simulation
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Chemissian: software to analyze spectra, build density maps and ...
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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Cheminformatics and Molecular Modeling | OpenEye Scientific ...
OpenEye Scientific Software develops software for drug design, molecular modeling, virtual screening and lead-hopping. Areas of expertise include cheminformatics ...
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The YAeHMOP Home Page
"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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Banned By Gaussian
Site critical of Gaussian, Inc.'s licensing practices. Reports allegations of Gaussian banning "competitors" from using their product.
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OpenThermo
Open source program package for calculation of thermodynamic functions from molecular data.
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Chemical inventory software, Lab equipment calibration and ...
ChemSW is a provider of chemical inventory managment systems and program software, MSDS systems and chemistry laboratory software.
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CRYSTAL Home Page
Unix program to compute the electronic structure of periodic systems within Hartree Fock, density functional or various hybrid approximations. Documentation ...
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