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An Automated and Systematic Transition Structure Explorer in Large Flexible Molecular Systems Based on Combined

Satoshi Maeda1, Koichi Ohno1, Keiji Morokuma1

  • 1Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, Toyota Physical and Chemical Research Institute, Nagakute, Aichi 480-1192, Japan, and Fukui Institute for Fundamental Chemistry, Kyoto University, Kyoto 606-8103, Japan.

Journal of Chemical Theory and Computation
|December 4, 2015
PubMed

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