Ponec Robert

ASEP Publications , Institute of Chemical Process Fundamentals of the CAS, v. v. i.

Document Type: Journal Article, Impacted Journal Arcticle, Monograph, Monograph Chapter, Proceedings Paper (International conf.), Proceedings Paper (Czech conf.)
Year(s): 2020, 2019, 2018, 2017, 2016, 2015
Database: ASEP 

Current data to: 20.04.2020 v 14:04:02

Baranov, A., Ponec, Robert, Kohout, M. Chemical Bonding in Solids: Recovering Chemical Concepts in the Realm of Infinite Periodic Structures. In: Joswig, J.-O., Springborg, M., eds. Chemical Modelling. Volume. 12. Cambridge: Royal Society Chemistry, 2016, S. 53-83. ISBN 978-1-78262-115-7
doi: 10.1039/9781782622703-00053
Permanent link: http://hdl.handle.net/11104/0254284

Cooper, D.L., Ponec, Robert, Kohout, M. Are Orbital-Resolved Shared-Electron Distribution Indices and Cioslowski Covalent Bond Orders Useful for Molecules? Molecular Physics. 2015, 113(13-14), 1682-1689. ISSN 0026-8976
doi: 10.1080/00268976.2015.1004377
Permanent link: http://hdl.handle.net/11104/0248868

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. In: Carbó-Dorca, R., Chakraborty, T., eds. Theoretical and Quantum Chemistry at the Dawn of the 21st Century. Waretown: Apple Academic Press, 2018, S. 405-443. Computation in Chemistry. ISBN 978-1-77188-682-6.
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

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. 2016, 114(7-8), 1270-1284. ISSN 0026-8976
doi: 10.1080/00268976.2015.1112925
Permanent link: http://hdl.handle.net/11104/0259014

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. 2017, 1116(Sl), 40-49. ISSN 2210-271X
doi: 10.1016/j.comptc.2016.12.010
Permanent link: http://hdl.handle.net/11104/0276291

Cooper, D.L., Penotti, F.E., Ponec, Robert. Why is the Bond Multiplicity in C2 so Elusive? Computational and Theoretical Chemistry. 2015, 1053(SI), 189-194. ISSN 2210-271X
doi: 10.1016/j.comptc.2014.08.024
Permanent link: http://hdl.handle.net/11104/0245069

Li, W.-L., Lu, J.-B., Zhao, L., Ponec, Robert, Cooper, D.L., Li, J., Frenking, G. Electronic Structure and Bonding Situation in M2O2 (M=Be,Mg,Ca) Rhombic Clusters. Journal of Physical Chemistry A. 2018, 122(10), 2816-2822. ISSN 1089-5639
doi: 10.1021/acs.jpca.8b01335
Permanent link: http://hdl.handle.net/11104/0282912

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. 2020(x)x(x), e26183. ISSN 0020-7608
doi: 10.1002/qua.26183
Permanent link: http://hdl.handle.net/11104/0307837

Ponec, Robert, Cooper, D.L. Insights from Domain-Averaged Fermi Hole (DAFH) Analysis and Multicenter Bond Indices into the Nature of Be(0) Bonding. Structural Chemistry. 2017, 28(4), 1033-1043. ISSN 1040-0400
doi: 10.1007/s11224-017-0914-2
Permanent link: http://hdl.handle.net/11104/0273579

Ponec, Robert. Moderní teoretické metody analýzy elektronové struktury molekul. Chemické listy. 2016, 10(5), 323-329. ISSN 0009-2770.
Permanent link: http://hdl.handle.net/11104/0260993

Ponec, Robert. Structure and Bonding in Binuclear Metal Carbonyls. Classical Paradigms vs. Insights from Modern Theoretical Calculations. Computational and Theoretical Chemistry. 2015, 1053(SI), 195-213. ISSN 2210-271X
doi: 10.1016/j.comptc.2014.07.018
Permanent link: http://hdl.handle.net/11104/0245615

Ponec, Robert, Cooper, D.L. Theoretical investigations of the chemical bonding in MM'O-2 clusters (M, M' = Be, Mg, Ca). Journal of Molecular Modeling. 2018, 24(9), 226. ISSN 1610-2940
doi: 10.1007/s00894-018-3764-y.
http://hdl.handle.net/11104/0298141
Permanent link: http://hdl.handle.net/11104/0298141

Ponec, Robert. Topological Approach to Chemical Reactivity. Destiny of Electron Pairs in Allowed and Forbidden Pericyclic Reactions. In: Book of Abstracts. 2016, S. 28. ISBN N.
Permanent link: http://hdl.handle.net/11104/0267909

Ponec, Robert. Topological Aspects of Chemical Reactivity. Destiny of Electron Pairs in Allowed and Forbidden Pericyclic Reactions. Journal of Physical Organic Chemistry. 2017, 30(12), e3706. ISSN 0894-3230
doi: 10.1002/poc.3706
Permanent link: http://hdl.handle.net/11104/0277799

Veselý, M., Vajglová, Zuzana, Kotas, Petr, Křišťál, Jiří, Ponec, Robert, Jiřičný, Vladimír. Model for Photodegradation of Polybrominated Diphenyl Ethers. Environmental Science and Pollution Research. 2015, 22(7), 4949-4963. ISSN 0944-1344
doi: 10.1007/s11356-014-3741-7
Permanent link: http://hdl.handle.net/11104/0246219