Bernd Hartke
3PUBLICATIONS
5CO-AUTHORS
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Publications (3)
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|Mar 23, 2020
Globally optimal catalytic fields for a Diels-Alder reaction.Mark Dittner, Bernd Hartke
|Jun 06, 2018
Resonance dynamics of DCO (X̃ 2A') simulated with the dynamically pruned discrete variable representation (DP-DVR).Henrik R Larsson, Jens Riedel, Jie Wei
|May 01, 2017
Cheap but accurate calculation of chemical reaction rate constants from ab initio data, via system-specific, black-box force fields.Julien Steffen, Bernd Hartke
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