%0 Journal Article %1 doi:10.1021/acs.jpca.9b08239 %A Denzel, Alexander %A Haasdonk, Bernard %A Kästner, Johannes %D 2019 %J J. Phys. Chem. A %K EXC2075 chemie from:alexanderdenzel kaestner kästner pn3 stuttgart theochem theoretische %N 44 %P 9600-9611 %R 10.1021/acs.jpca.9b08239 %T Gaussian Process Regression for Minimum Energy Path Optimization and Transition State Search %U https://doi.org/10.1021/acs.jpca.9b08239 %V 123

@article{doi:10.1021/acs.jpca.9b08239, added-at = {2019-11-08T09:08:16.000+0100}, author = {Denzel, Alexander and Haasdonk, Bernard and Kästner, Johannes}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/28c53102eb52b8ea0c7823e085e55a6ea/theochem}, doi = {10.1021/acs.jpca.9b08239}, eprint = {https://doi.org/10.1021/acs.jpca.9b08239}, interhash = {8bd1c4a83800d7aecfc265b1b7face65}, intrahash = {8c53102eb52b8ea0c7823e085e55a6ea}, journal = {J. Phys. Chem. A}, keywords = {EXC2075 chemie from:alexanderdenzel kaestner kästner pn3 stuttgart theochem theoretische}, number = 44, pages = {9600-9611}, timestamp = {2020-12-02T11:21:21.000+0100}, title = {Gaussian Process Regression for Minimum Energy Path Optimization and Transition State Search}, url = {https://doi.org/10.1021/acs.jpca.9b08239 }, volume = 123, year = 2019 }