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Novel Molecular-Dynamics-Based Protocols for Phase Space Sampling in Complex Systems
The adequate exploration of the phase space of a chromophore is a fundamental necessity for the simulation of their optical and photophysical properties, taking into account the effects of vibrational motion and, most importantly, the coupling with a (non-homogeneous) molecular environment. A repres...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6199692/ https://www.ncbi.nlm.nih.gov/pubmed/30386775 http://dx.doi.org/10.3389/fchem.2018.00495 |