Theoretical Infrared Spectra: Quantitative Similarity Measures and Force Fields

[Image: see text] Infrared spectroscopy can provide significant insight into the structures and dynamics of molecules of all sizes. The information that is contained in the spectrum is, however, often not easily extracted without the aid of theoretical calculations or simulations. We present here th...

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Detalles Bibliográficos
Autores principales: Henschel, Henning, Andersson, Alfred T., Jespers, Willem, Mehdi Ghahremanpour, Mohammad, van der Spoel, David
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7304875/
https://www.ncbi.nlm.nih.gov/pubmed/32271575
http://dx.doi.org/10.1021/acs.jctc.0c00126

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7304875/
https://www.ncbi.nlm.nih.gov/pubmed/32271575
http://dx.doi.org/10.1021/acs.jctc.0c00126

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