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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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| Publicat a: | Theor Chem Acc |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Springer Berlin Heidelberg
2021
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7942689/ https://ncbi.nlm.nih.gov/pubmed/33716564 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00214-021-02727-y |
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