Reassessing Spin-Coupled (Full Generalized Valence Bond) Descriptions of Ozone Using Three-Center Bond Indices.

0480523 - ÚCHP 2018 RIV NL eng J - Článek v odborném periodiku
Cooper, D.L. - Penotti, F.E. - Ponec, Robert
Reassessing Spin-Coupled (Full Generalized Valence Bond) Descriptions of Ozone Using Three-Center Bond Indices.
Computational and Theoretical Chemistry. Roč. 1116, Sl (2017), s. 40-49. ISSN 2210-271X. E-ISSN 1872-7999
Institucionální podpora: RVO:67985858
Klíčová slova: full GVB and spin-coupled * PI-system in O3 * domain-averaged fermi holes
Obor OECD: Physical chemistry
Impakt faktor: 1.443, rok: 2017

Trvalý link: http://hdl.handle.net/11104/0276291