A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1–86). Grimme, S., Bannwarth, C., & Shushkov, P. Journal of Chemical Theory and Computation, 13(5):1989–2009, May, 2017. Publisher: American Chemical Society![A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures, Vibrational Frequencies, and Noncovalent Interactions of Large Molecular Systems Parametrized for All spd-Block Elements (Z = 1–86) [link]](https://bibbase.org/img/filetypes/link.svg "link")
Paper doi bibtex @article{grimme_robust_2017,
title = {A {Robust} and {Accurate} {Tight}-{Binding} {Quantum} {Chemical} {Method} for {Structures}, {Vibrational} {Frequencies}, and {Noncovalent} {Interactions} of {Large} {Molecular} {Systems} {Parametrized} for {All} spd-{Block} {Elements} ({Z} = 1–86)},
volume = {13},
issn = {1549-9618},
url = {http://dx.doi.org/10.1021/acs.jctc.7b00118},
doi = {10.1021/acs.jctc.7b00118},
number = {5},
journal = {Journal of Chemical Theory and Computation},
author = {Grimme, Stefan and Bannwarth, Christoph and Shushkov, Philip},
month = may,
year = {2017},
note = {Publisher: American Chemical Society},
pages = {1989--2009},
}
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