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Study of Potential Energy Surfaces towards Global Reaction Route Mapping

Koichi Ohno1

  • 1Institute for Quantum Chemical Exploration, Minato-ku, Tokyo, 108-0022, Japan. ohnok@m.tohoku.ac.jp.

Chemical Record (New York, N.Y.)
|April 10, 2016
PubMed

Keywords:
ab initio calculationsanharmonicitypotential energy surfacequantum chemistryreaction route

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