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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Detalles Bibliográficos
Autores principales: Jagannatha Prathapa, Siriyara, Held, Jeanette, van Smaalen, Sander
Formato: Online Artículo Texto
Lenguaje:English
Publicado: WILEY-VCH Verlag 2013
Materias:
Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4431502/
https://www.ncbi.nlm.nih.gov/pubmed/25995522
http://dx.doi.org/10.1002/zaac.201200535

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4431502/
https://www.ncbi.nlm.nih.gov/pubmed/25995522
http://dx.doi.org/10.1002/zaac.201200535

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