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- 1.0522219 - ÚCHP 2021 RIV US eng J - Journal Article
Penotti, F.E. - Cooper, D.L. - Karadakov, P.B. - Ponec, Robert
Nature of the chemical bonding in D3h [MH3M]+ cations(M = Be, Mg).
International Journal of Quantum Chemistry. Roč. 120, č. 11 (2020), č. článku e26183. ISSN 0020-7608. E-ISSN 1097-461X
Institutional support: RVO:67985858
Keywords : domain-averaged Fermi hole analysis * localized natural orbitals * ultrashort metalmetal distances
OECD category: Physical chemistry
Impact factor: 2.444, year: 2020
Method of publishing: Limited access
Permanent Link: http://hdl.handle.net/11104/0307837File Download Size Commentary Version Access 0522219.pdf 2 1.3 MB Publisher’s postprint require - 2.0480523 - 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 - 3.0442180 - 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