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- 1.0458735 - ÚCHP 2017 RIV GB eng J - Journal Article
Cooper, D.L. - Ponec, Robert - Kohout, M.
New Insights from Domain-averaged Fermi holes and Bond Order Analysis into the Bonding Conundrum in C2.
Molecular Physics. Roč. 114, 7-8 (2016), s. 1270-1284. ISSN 0026-8976. E-ISSN 1362-3028
Institutional support: RVO:67985858
Keywords : peculiarity of C2 bonding * domain-averaged Fermi holes (DAFH) * cioslowski bond orders
Subject RIV: CC - Organic Chemistry
Impact factor: 1.870, year: 2016
Permanent Link: http://hdl.handle.net/11104/0259014File Download Size Commentary Version Access 0458735.pdf 1 7.3 MB Author’s postprint open-access - 2.0446890 - ÚCHP 2016 RIV GB eng J - Journal Article
Cooper, D.L. - Ponec, Robert - Kohout, M.
Are Orbital-Resolved Shared-Electron Distribution Indices and Cioslowski Covalent Bond Orders Useful for Molecules?
Molecular Physics. Roč. 113, 13-14 (2015), s. 1682-1689. ISSN 0026-8976. E-ISSN 1362-3028
Institutional support: RVO:67985858
Keywords : domain averaged fermi holes * shared electron-distribution indices * Cioslowski covalent bond orders
Subject RIV: CC - Organic Chemistry
Impact factor: 1.837, year: 2015
Permanent Link: http://hdl.handle.net/11104/0248868File Download Size Commentary Version Access 0446890.pdf 1 785.2 KB Author’s postprint open-access - 3.0389634 - ÚCHP 2013 RIV US eng J - Journal Article
Baranov, A. - Ponec, Robert - Kohout, M.
Domain-averaged Fermi-hole Analysis for Solids.
Journal of Chemical Physics. Roč. 137, č. 21 (2012), s. 214109. ISSN 0021-9606. E-ISSN 1089-7690
R&D Projects: GA ČR GA203/09/0118
Institutional support: RVO:67985858
Keywords : bonding in solids * domain averaged fermi hole * natural orbitals
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.164, year: 2012
Permanent Link: http://hdl.handle.net/11104/0218533File Download Size Commentary Version Access SKMBT_C22013061009080.pdf 0 6.7 MB Publisher’s postprint open-access