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Coarse Graining of Intermolecular Vibrations by a Karhunen-Loève Transformation of Atomic Displacement Vectors

Hirohiko Houjou1

  • 1Institute of Industrial Science, University of Tokyo, 4-6-1 Komaba, Meguro-ku, Tokyo 153-8505, Japan.

Journal of Chemical Theory and Computation
|November 27, 2015
PubMed

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