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Atomistic simulations of the aggregation of small aromatic molecules in homogenous and heterogenous mixtures
The relatively weak London dispersion forces are the only interactions that could cause aggregation between simple aromatic molecules. The use of molecular dynamics and high-level ab initio computer simulations has been used to describe the aggregation and interactions between molecular systems cont...
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| Publicado no: | Phys Chem Chem Phys |
|---|---|
| Main Authors: | , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7610640/ https://ncbi.nlm.nih.gov/pubmed/32766637 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/d0cp02622k |
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