A revised formulation of the generalized subsystem vibrational analysis (GSVA)

In this work, a simplified formulation of our recently developed generalized subsystem vibrational analysis (GSVA) for obtaining intrinsic fragmental vibrations (J Chem Theory Comput 14:2558, 2018) is presented. In contrast to the earlier implementation, which requires the explicit definition of a n...

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Detalles Bibliográficos
Autores principales: Tao, Yunwen, Zou, Wenli, Nanayakkara, Sadisha, Freindorf, Marek, Kraka, Elfi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2021
Materias:
Letter
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7942689/
https://www.ncbi.nlm.nih.gov/pubmed/33716564
http://dx.doi.org/10.1007/s00214-021-02727-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7942689/
https://www.ncbi.nlm.nih.gov/pubmed/33716564
http://dx.doi.org/10.1007/s00214-021-02727-y

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