Topological Properties of Chemical Bonds from Static and Dynamic Electron Densities
نویسندگان
چکیده
منابع مشابه
Topological Properties of Chemical Bonds from Static and Dynamic Electron Densities
Dynamic and static electron densities (EDs) based on the independent spherical atom model (IAM) and multipole (MP) models of crambin were successfully computed, holding no series-termination effects. The densities are compared to EDs of small biological molecules at diverse temperatures. It is outlined that proteins exhibit an intrinsic flexibility, present as frozen disorder at 100 K, in contr...
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ژورنال
عنوان ژورنال: Zeitschrift für anorganische und allgemeine Chemie
سال: 2013
ISSN: 0044-2313
DOI: 10.1002/zaac.201200535