に似ているサイト Gausssum.Sourceforge.Net
GaussSum: analyse ADF, GAMESS, GAMESS-UK, Gaussian, Jaguar and PC GAMESS output files
説明: 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.
人気キーワード: gausssum sourceforge
サイトの評価:
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言語: English
サイトトピックス: chemistry
CHEMKED - Chemical Kinetics of Gas Phase Reactions - Databases and Simulation
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サイトの評価:
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サイトの評価:
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サイトの評価:
3.0 / 5.0, 言語: English