Fast and Reasonable Geometry Optimization of Lanthanoid Complexes with an Extended Tight Binding Quantum Chemical Method. Bursch, M., Hansen, A., & Grimme, S. Inorganic Chemistry, 56(20):12485–12491, October, 2017. Publisher: American Chemical Society
Paper doi bibtex @article{bursch_fast_2017,
title = {Fast and {Reasonable} {Geometry} {Optimization} of {Lanthanoid} {Complexes} with an {Extended} {Tight} {Binding} {Quantum} {Chemical} {Method}},
volume = {56},
issn = {0020-1669},
url = {http://dx.doi.org/10.1021/acs.inorgchem.7b01950},
doi = {10.1021/acs.inorgchem.7b01950},
number = {20},
journal = {Inorganic Chemistry},
author = {Bursch, Markus and Hansen, Andreas and Grimme, Stefan},
month = oct,
year = {2017},
note = {Publisher: American Chemical Society},
pages = {12485--12491},
}
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