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)

Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.7b00118 Full text (OA) OpenAlex

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Cited by 28 stored of 2,058

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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 0

Cited by 28 stored of 2,058

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