Quantification of Inter/intramolecular Stiffness by Coarse-graining Intermolecular Vibrations of Homo/hetero-dimers
Author:
Affiliation:
1. Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan
Publisher
Society of Computer Chemistry Japan
Subject
General Medicine
Link
https://www.jstage.jst.go.jp/article/jccj/15/3/15_2016-0039/_pdf
Reference6 articles.
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4. [4] F. Zhang, H. Wang, K. Tominaga, M. Hayashi, WIREs Comput., Mol. Sci., 6, 386 (2016).
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1. Optimizing a coarse-grained space for approximate normal-mode vibrations of molecular heterodimers;Journal of Molecular Modeling;2021-04-27
2. Formulation of Phonon Band Calculation Scheme Using Intermolecular Stiffness Matrix Represented upon Coarse-grained Coordinate System.;Journal of Computer Chemistry, Japan;2021
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