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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 outli...

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Bibliografiske detaljer
Udgivet i:Z Anorg Allg Chem
Main Authors: Jagannatha Prathapa, Siriyara, Held, Jeanette, van Smaalen, Sander
Format: Artigo
Sprog:Inglês
Udgivet: WILEY-VCH Verlag 2013
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4431502/
https://ncbi.nlm.nih.gov/pubmed/25995522
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/zaac.201200535
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