Papers matching “conformational analysis” in Advanced Chemical Physics Studies 5
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Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections2024 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies
Maximilian Fleck, Wassja A. Kopp, Narasimhan Viswanathan, Niels Hansen, Joachim Groß, Kai O. Leonhard
5citations -
CREST—A program for the exploration of low-energy molecular chemical space2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 2 patents
Philipp Pracht, Stefan Grimme, Christoph Bannwarth, Fabian Bohle, Sebastian Ehlert, Gereon Feldmann, +7 more
573citations
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