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)

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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)
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 13, Issue 5, Pages 1989-2009
Publisher
American Chemical Society (ACS)
Online
2017-04-19
DOI
10.1021/acs.jctc.7b00118

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