Number of the records: 1  

Description of Non-Covalent Interactions in SCC-DFTB Methods

  1. 1.
    SYSNO0475259
    TitleDescription 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/seniorŘezáč, Jan - Korespondující autor
    Source Title Journal of Computational Chemistry. Roč. 38, č. 10 (2017), s. 688-697. - : Wiley
    Document TypeČlánek v odborném periodiku
    Grant GJ16-11321Y GA ČR - Czech Science Foundation (CSF), CZ - Czech Republic
    Institutional supportUOCHB-X - RVO:61388963
    Languageeng
    CountryUS
    Keywords density functional tight binding * DFTB3 * non-covalent interactions * dispersion correction * hydrogen bonding correction
    Permanent Linkhttp://hdl.handle.net/11104/0272103
     
Number of the records: 1  

  This site uses cookies to make them easier to browse. Learn more about how we use cookies.