Electron density functions for simple molecules
نویسندگان
چکیده
منابع مشابه
Alignment of Small Molecules Using Promolecular Electron Density Distribution Functions
Promolecular models have often been shown as reasonable or even very good approximation levels to model electron density (ED) distributions, for example in chemical bond analysis or molecular similarity applications [1-9], even if the ED topology may differ between experimental and theoretical models especially at covalent bonds [9]. The present work is focussed on the use of PASA (Promolecular...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 1980
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.77.4.1725