PathOpt--a global transition state search approach: outline of algorithm

Christoph Grebner1, Lukas P Pason, Bernd Engels

  • 1Institut für Physikalische und Theoretische Chemie, Fakultät für Chemie und Pharmazie, Julius-Maximilians-Universität Würzburg, Emil-Fischer-Straße 42, Würzburg, D-97074, Germany.

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