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Simulation Investigation of Bulk and Surface Properties of Liquid Benzonitrile: Ring Stacking—Assessment and Deconvolution
[Image: see text] The content and the molecular dynamics (MD) simulation analysis here are inspired by our recent ab initio calculation on benzonitrile (BZN), whereas the present results are to expand and develop macroscopic documentation involving data verification. MD simulations of the bulk liqui...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9330290/ https://www.ncbi.nlm.nih.gov/pubmed/35910170 http://dx.doi.org/10.1021/acsomega.2c00953 |