%0 Journal Article %1 fleck2024efficient %A Fleck, Maximilian %A Kopp, Wassja A. %A Viswanathan, Narasimhan %A Hansen, Niels %A Groß, Joachim %A Leonhard, Kai %D 2024 %I American Chemical Society %J Journal of chemical theory and computation %K ubs_10004 ubs_20005 ubs_30058 ubs_40084 unibibliografie wos %N 17 %P 7574-7585 %R 10.1021/acs.jctc.4c00475 %T Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections %V 20

@article{fleck2024efficient, added-at = {2025-01-20T14:41:19.000+0100}, affiliation = {Leonhard, K (Corresponding Author), Univ Stuttgart, Inst Thermodynam \& Thermal Proc Engn, D-70569 Stuttgart, Germany. Fleck, Maximilian; Hansen, Niels; Gross, Joachim, Rhein Westfal TH Aachen, Chair Tech Thermodynam, D-52062 Aachen, Germany. Kopp, Wassja A.; Viswanathan, Narasimhan; Leonhard, Kai, Univ Stuttgart, Inst Thermodynam \& Thermal Proc Engn, D-70569 Stuttgart, Germany.}, author = {Fleck, Maximilian and Kopp, Wassja A. and Viswanathan, Narasimhan and Hansen, Niels and Groß, Joachim and Leonhard, Kai}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2591246471f157a3f0788897f80541a7d/unibiblio}, doi = {10.1021/acs.jctc.4c00475}, interhash = {c32863fe30ea9e5250411dd2e8f13bd3}, intrahash = {591246471f157a3f0788897f80541a7d}, issn = {{1549-9618} and {1549-9626}}, journal = {Journal of chemical theory and computation}, keywords = {ubs_10004 ubs_20005 ubs_30058 ubs_40084 unibibliografie wos}, language = {eng}, number = 17, orcid-numbers = {Leonhard, Kai/0000-0001-6231-6957 Hansen, Niels/0000-0003-4366-6120}, pages = {7574-7585}, publisher = {American Chemical Society}, research-areas = {Chemistry; Physics}, timestamp = {2025-01-20T14:41:19.000+0100}, title = {Efficient Generation of Torsional Energy Profiles by Multifidelity Gaussian Processes for Hindered Rotor Corrections}, unique-id = {WOS:001295131700001}, volume = 20, year = 2024 }