Search results
- 1.0480523 - ÚCHP 2018 RIV NL eng J - Journal Article
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
Institutional support: RVO:67985858
Keywords : full GVB and spin-coupled * PI-system in O3 * domain-averaged fermi holes
OECD category: Physical chemistry
Impact factor: 1.443, year: 2017
Permanent Link: http://hdl.handle.net/11104/0276291File Download Size Commentary Version Access 0480523.pdf 1 20.9 MB Author’s postprint open-access - 2.0442180 - ÚCHP 2015 RIV NL eng J - Journal Article
Cooper, D.L. - Penotti, F.E. - Ponec, Robert
Why is the Bond Multiplicity in C2 so Elusive?
Computational and Theoretical Chemistry. Roč. 1053, SI (2015), s. 189-194. ISSN 2210-271X. E-ISSN 1872-7999
Institutional support: RVO:67985858
Keywords : bond multiplicity in C2 * spin correlation matrices * full GVB and spin-coupled
Subject RIV: CC - Organic Chemistry
Impact factor: 1.403, year: 2015
Permanent Link: http://hdl.handle.net/11104/0245069File Download Size Commentary Version Access 0442180.pdf 0 733.3 KB Author’s postprint open-access