Number of the records: 1
Description of Non-Covalent Interactions in SCC-DFTB Methods
- 1.0475259 - ÚOCHB 2018 RIV US eng J - Journal Article
Miriyala, Vijay Madhav - Řezáč, Jan
Description of Non-Covalent Interactions in SCC-DFTB Methods.
Journal of Computational Chemistry. Roč. 38, č. 10 (2017), s. 688-697. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA ČR(CZ) GJ16-11321Y
Institutional support: RVO:61388963
Keywords : density functional tight binding * DFTB3 * non-covalent interactions * dispersion correction * hydrogen bonding correction
OECD category: Physical chemistry
Impact factor: 3.221, year: 2017
Permanent Link: http://hdl.handle.net/11104/0272103
Number of the records: 1