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Searching for Saddle Points by Using the Nudged Elastic Band Method:  An Implementation for Gas-Phase Systems

Núria González-García1, Jingzhi Pu1, Àngels González-Lafont1

  • 1Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Barcelona, Spain, and Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant Street Southeast, Minneapolis, Minnesota 55455-0431.

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

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