Description of Non-Covalent Interactions in SCC-DFTB Methods

Miriyala, VM; Rezac, J

Rezac, J (reprint author), Czech Acad Sci, Inst Organ Chem & Biochem, Flemingovo Nam 2, Prague 16610 6, Czech Republic.

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2017; 38 (10): 688

Abstract

We have analyzed the description of non-covalent interactions in multiple variants of the self-consistent charges density functional tight binding (SC......

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