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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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| Vydáno v: | Z Anorg Allg Chem |
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| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
WILEY-VCH Verlag
2013
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| Témata: | |
| On-line přístup: | 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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