A carregar...
An optimized intermolecular force field for hydrogen-bonded organic molecular crystals using atomic multipole electrostatics
We present a re-parameterization of a popular intermolecular force field for describing intermolecular interactions in the organic solid state. Specifically we optimize the performance of the exp-6 force field when used in conjunction with atomic multipole electrostatics. We also parameterize force...
Na minha lista:
| Publicado no: | Acta Crystallogr B Struct Sci Cryst Eng Mater |
|---|---|
| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
International Union of Crystallography
2016
|
| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4971546/ https://ncbi.nlm.nih.gov/pubmed/27484370 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2052520616007708 |
| Tags: |
Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!
|