%0 Journal Article %1 bor21 %A Born, Daniel %A Kästner, Johannes %D 2021 %J Journal of Chemical Theory and Computation %K EXC2075 PN3 PN3-4 PN3-4(II) unclear %N 9 %P 5955-5967 %R 10.1021/acs.jctc.1c00517 %T Geometry Optimization in Internal Coordinates Based on Gaussian Process Regression: Comparison of Two Approaches %U https://doi.org/10.1021/acs.jctc.1c00517 %V 17

@article{bor21, added-at = {2025-02-14T11:14:18.000+0100}, author = {Born, Daniel and Kästner, Johannes}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/233d14af56f9d5f8ed7decbf10b83d904/simtechpuma}, doi = {10.1021/acs.jctc.1c00517}, interhash = {634d44e57dbba9053fe3d83d38f0e50d}, intrahash = {33d14af56f9d5f8ed7decbf10b83d904}, journal = {Journal of Chemical Theory and Computation}, keywords = {EXC2075 PN3 PN3-4 PN3-4(II) unclear}, number = 9, pages = {5955-5967}, timestamp = {2025-02-14T11:14:18.000+0100}, title = {Geometry Optimization in Internal Coordinates Based on Gaussian Process Regression: Comparison of Two Approaches}, url = {https://doi.org/10.1021/acs.jctc.1c00517}, volume = 17, year = 2021 }