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gausssum.sourceforge.net - GaussSum: analyse ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and <strong>...</strong>
GaussSum: analyse ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS output files
descrizione: Collection of Python scripts which parse the output of Gaussian or GAMESS calculations to extract information such as the progress of the SCF cycles, geometry optimisation, UV-Vis/IR/Raman spectra, MO levels, and MO contributions.
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Gausssum.Sourceforge.Net
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Lingua: English
Argomenti sito:  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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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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OpenThermo
Open source program package for calculation of thermodynamic functions from molecular data.
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Family Tree Assistant - Family Tree Mapping Resources
Software to visualise your Family Tree using Google Earth
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argomenti correlati:  chemistry   genealogy   software   physics   programming   biology   computer   education   systems
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