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Beyond static structures: Putting forth REMD as a tool to solve problems in computational organic chemistry
Computational studies of organic systems are frequently limited to static pictures that closely align with textbook style presentations of reaction mechanisms and isomerization processes. Of course, in reality chemical systems are dynamic entities where a multitude of molecular conformations exists...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley and Sons Inc.
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5324590/ https://www.ncbi.nlm.nih.gov/pubmed/26228927 http://dx.doi.org/10.1002/jcc.24025 |