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Exploring Energy Landscapes: Metrics, Pathways, and Normal-Mode Analysis for Rigid-Body Molecules

Victor Rühle1, Halim Kusumaatmaja1,2, Dwaipayan Chakrabarti1,3

  • 1Department of Chemistry, University of Cambridge , Lensfield Road, Cambridge CB2 1EW, United Kingdom.

Journal of Chemical Theory and Computation
|November 24, 2015
PubMed

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