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Vibrational subsystem analysis: A method for probing free energies and correlations in the harmonic limit

A new vibrational subsystem analysis (VSA) method is presented for coupling global motion to a local subsystem while including the inertial effects of the environment. The premise of the VSA method is a partitioning of a system into a smaller region of interest and a usually larger part referred to...

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Autori principali: Woodcock, H. Lee, Zheng, Wenjun, Ghysels, An, Shao, Yihan, Kong, Jing, Brooks, Bernard R.
Natura: Artigo
Lingua:Inglês
Pubblicazione: American Institute of Physics 2008
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2676147/
https://ncbi.nlm.nih.gov/pubmed/19063546
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.3013558
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