GFN2-xTB—An accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions. Bannwarth, C., Ehlert, S., & Grimme, S. Journal of Chemical Theory and Computation, 15(3):1652–1671, March, 2019. Publisher: American Chemical Society![GFN2-xTB—An accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi bibtex @article{bannwarth_gfn2-xtbaccurate_2019,
title = {{GFN2}-{xTB}—{An} accurate and broadly parametrized self-consistent tight-binding quantum chemical method with multipole electrostatics and density-dependent dispersion contributions},
volume = {15},
issn = {1549-9618},
url = {https://doi.org/10.1021/acs.jctc.8b01176},
doi = {10.1021/acs.jctc.8b01176},
number = {3},
journal = {Journal of Chemical Theory and Computation},
author = {Bannwarth, Christoph and Ehlert, Sebastian and Grimme, Stefan},
month = mar,
year = {2019},
note = {Publisher: American Chemical Society},
pages = {1652--1671},
}
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