LIBROS DEL AUTOR: dmitri g fedorov

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  • Complete Guide to the Fragment Molecular Orbital Method in GAMESS
    Dmitri G Fedorov
    The fragment molecular orbital (FMO) method is a fast linear-scaling quantum-mechanical method employed by chemists and physicists all over the world. It provides a wealth of properties of fragments from quantum-chemical calculations, a bottomless treasure pit for data mining and machine learning. However, there is no user-friendly description of its usage in the widely employe...
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