Description of Non-Covalent Interactions in SCC-DFTB Methods

Number of the records: 1

1.

SYSNO	0475259
Title	Description of Non-Covalent Interactions in SCC-DFTB Methods
Author(s)	Miriyala, Vijay Madhav (UOCHB-X) [610/61] Řezáč, Jan (UOCHB-X) [610/61]_{RID, ORCID}
Corespondence/senior	Řezáč, Jan - Korespondující autor
Source Title	Journal of Computational Chemistry. Roč. 38, č. 10 (2017), s. 688-697. - : Wiley
Document Type	Článek v odborném periodiku
Grant	GJ16-11321Y GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
Institutional support	UOCHB-X - RVO:61388963
Language	eng
Country	US
Keywords	density functional tight binding * DFTB3 * non-covalent interactions * dispersion correction * hydrogen bonding correction
Permanent Link	http://hdl.handle.net/11104/0272103

Number of the records: 1