Search results
- 1.0507683 - ÚCHP 2020 RIV US eng M - Monography Chapter
Cooper, D.L. - Ponec, Robert
Insights into Molecular Electronic Structure from Domain-Averaged Fermi Hole (DAFH) and Bond Order Analysis Using Correlated Density Matrices. Chapter 14.
Theoretical and Quantum Chemistry at the Dawn of the 21st Century. Waretown: Apple Academic Press, 2018 - (Carbó-Dorca, R.; Chakraborty, T.), s. 405-443. Computation in Chemistry. ISBN 978-1-77188-682-6
Institutional support: RVO:67985858
Keywords : analysis of correlated density matrices * bond orders and bond indices * chemical bonding
OECD category: Physical chemistry
https://www.crcpress.com/Theoretical-and-Quantum-Chemistry-at-the-Dawn-of-the-21st-Century/Chakraborty-Carbo-Dorca/p/book/9781771886826
Permanent Link: http://hdl.handle.net/11104/0298663 - 2.0453427 - ÚCHP 2016 RIV GB eng M - Monography Chapter
Baranov, A. - Ponec, Robert - Kohout, M.
Chemical Bonding in Solids: Recovering Chemical Concepts in the Realm of Infinite Periodic Structures.
Chemical Modelling. Vol. 12. Cambridge: Royal Society Chemistry, 2016 - (Joswig, J.; Springborg, M.), s. 53-83. ISBN 978-1-78262-115-7
Institutional support: RVO:67985858
Keywords : chemical bonding in solids * bond indices in solids * DAFH analysis in solids
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0254284 - 3.0428466 - ÚCHP 2015 RIV RS eng M - Monography Chapter
Ponec, Robert
Late Reminiscence of Unexplored Scientific Links with Ante. Parity of Kekulé Structures and Algebraic Structure Count.
Ante Graovac - Life and Works. Kragujevac: University of Kragujevac Faculty of Science, 2014 - (Gutman, I.; Pokric, B.; Vukicevic, D.), s. 243-258. Mathematical Chemistry Monographs, No. 16. ISBN 978-86-6009-021-0
Institutional support: RVO:67985858
Keywords : parity of Kekulé structures * algebraic structure count * overlap determinant method
Subject RIV: CF - Physical ; Theoretical Chemistry
http://match.pmf.kg.ac.rs/mcm16.html
Permanent Link: http://hdl.handle.net/11104/0233808File Download Size Commentary Version Access SKMBT_C22014052912340.pdf 2 6.2 MB Publisher’s postprint open-access - 4.0349153 - ÚCHP 2011 RIV US eng M - Monography Chapter
Bultinck, P. - Fijas, S. - Mandado, M. - Ponec, Robert
Chapter 13: Correlation between Electron Delocalization and Ring Currents in All Metallic.
Aromaticity and Metal Clusters (Atoms, Molecules, and Clusters). New York: CRC Press, 2010 - (Chattaraj, P.), s. 245-270. ISBN 978-1-4398-1334-8
Institutional research plan: CEZ:AV0Z40720504
Keywords : electron delocalization * ring current * aromacity
Subject RIV: CF - Physical ; Theoretical Chemistry
http://www.crcpress.com/product/isbn/9781439813348
Permanent Link: http://hdl.handle.net/11104/0189466 - 5.0164851 - UCHP-M 950079 RIV DE eng M - Monography Chapter
Ponec, Robert
Similarity models in the theory of pericyclic reactivity.
Heidelberg: Springer, 1995. ISBN 3-540-58672-5. In: Topics in Current Chemistry 174., s. 1-26
Permanent Link: http://hdl.handle.net/11104/0062048 - 6.0164850 - UCHP-M 950078 RIV NL eng M - Monography Chapter
Ponec, Robert - Carbo, R. (ed.)
Molecular similarity and LFER.
Dordrecht: Kluwer Academic, 1995. In: Molecular similarity and reactivity from quantum chemical to phenomenological approaches., s. 303-309
Permanent Link: http://hdl.handle.net/11104/0062047