Search results
- 1.0348306 - ÚCHP 2011 RIV US eng J - Journal Article
Ponec, Robert - Bučinský, L. - Gatti, C.
Relativistic Effects on Metal-Metal Bonding. Comparison of the Performance of ECP and Scalar DKH Description on the Picture of Metal-Metal Bonding in Re2Cl8(2-).
Journal of Chemical Theory and Computation. Roč. 6, č. 10 (2010), s. 3113-3121. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR GA203/09/0118
Grant - others:VEGA(SK) 1/0817/08; VEGA(SK) 1/0127/09; APVV(SK) 0093-07
Institutional research plan: CEZ:AV0Z40720504
Keywords : relativistic effects * metal-metal bonding
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.138, year: 2010
Permanent Link: http://hdl.handle.net/11104/0188869 - 2.0347233 - ÚCHP 2011 SK eng C - Conference Paper (international conference)
Ponec, Robert - Bučinský, L. - Gatti, C.
Relativistic Effects on Metal-Metal Bonding. Comparison of the Performance of ECP and Scalar DKH Description on the Picture of Metal-Metal Bonding in Re2Cl8(2-).
Relativistic Effects on Metal-Metal Bonding. Comparison of the Performance of ECP and Scalar DKH Description on the Picture of Metal-Metal Bonding in Re2Cl8(2-). Bratislava: -, 2010 - (Noga, J.; Melicherčík, M.; Černušák, I.), s. 109. ISBN 978-80-223-2907-1.
[Central European Symposium on Theoretical Chemistry /9./. Nový Smokovec (SK), 12.09.2010-15.09.2010]
R&D Projects: GA ČR GA203/09/0118
Institutional research plan: CEZ:AV0Z40720504
Keywords : metal metal bonding * relativistic effect * domain averaged fermi holes
Subject RIV: CF - Physical ; Theoretical Chemistry
www.qch.fns.uniba.sk/ceste
Permanent Link: http://hdl.handle.net/11104/0188055 - 3.0329474 - ÚCHP 2010 SK eng C - Conference Paper (international conference)
Ponec, Robert
Peculiarities of Metal-Metal Bonding. Insights from the Analysis of Domain Averaged Fermi Holes.
[Zvláštnosti vazeb kov-kov jak je popisuje analýza doménově průměrovaných Fermiho děr.]
Proceedings. Bratislava: Comenius University, 2009 - (Černušák, I.; Urban, M.), 25 /O-10/ ISBN 978-80-223-2707-7.
[Japan-Czech-Slovak Symposium on Theoretical and Computational Chemistry /3./. Bratislava (SK), 09.09.2009-12.09.2009]
R&D Projects: GA ČR GA203/09/0118
Institutional research plan: CEZ:AV0Z40720504
Keywords : metal-metal bonding * analysis * fermi holes
Subject RIV: CC - Organic Chemistry
www.qch.fns.uniba.sk/GroupPage/conferences/jpn-cz-svk.html
Permanent Link: http://hdl.handle.net/11104/0175498 - 4.0327915 - ÚCHP 2010 RIV US eng J - Journal Article
Ponec, Robert - Feixas, F.
Peculiarites of Multiple Cr-Cr Bonding. Insights from the Analysis of Domain Averaged Fermi Holes.
[Zvláštnosti násobných vazeb Cr-Cr. Popis pomocí analýzy doménově průměrovaných Fermiho děr.]
Journal of Physical Chemistry A. Roč. 113, č. 29 (2009), s. 8394-8400. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GA203/09/0118
Grant - others:MICINN(ES) AP2005-2997
Institutional research plan: CEZ:AV0Z40720504
Keywords : metal metal bonding * multiplicity of Cr-Cr bond * domain averaged Fermi holes
Subject RIV: CC - Organic Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005397 - 5.0322765 - ÚCHP 2009 HU eng C - Conference Paper (international conference)
Ponec, Robert
Chemical Structures from the Analysis of Domain Averaged Fermi Holes. Peculiarity of Metal-Metal Bonding.
[Chemické struktury z analýzy doménově průměrovaných Fermiho děr. Zvláštnosti vazeb kov-kov.]
Collection of Abstracts. -: -, 2009, s. 21-22. ISBN N.
[International Symposium Molecular Informatics and Bioinformatics 2009. Budapest (HU)]
R&D Projects: GA ČR(CZ) GA203/09/118
Institutional research plan: CEZ:AV0Z40720504
Keywords : chemical bonding * metal-metal bonding * domain averaged Fermi holes
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0170928 - 6.0305668 - ÚCHP 2008 RIV DE eng J - Journal Article
Ponec, Robert - Juzhakov, Gleb
Metal-Metal Bonding in Re2Cl8(2-) from the Analysis of Domain Averaged Fermi holes.
[Vazba kov-kov v Re2Cl8(2-) iontu z analýzy doménově průměrovaných Fermiho děr.]
Theoretical Chemistry Accounts. Roč. 118, č. 4 (2007), s. 791-797. ISSN 1432-881X. E-ISSN 1432-2234
R&D Projects: GA AV ČR(CZ) IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : metal-metal bonding * domain averaged Fermi hole
Subject RIV: CC - Organic Chemistry
Impact factor: 2.537, year: 2007
Permanent Link: http://hdl.handle.net/11104/0158886 - 7.0166867 - UCHP-M 20030184 RIV GB eng J - Journal Article
Ponec, Robert - Juzakov, G. - Carbó-Dorca, R.
Chemical Structures from the Analysis of Domain Averaged Fermi holes. Multiple Metal-Metal Bonding in Transition Metal Compounds.
Journal of Computational Chemistry. Roč. 24, č. 15 (2003), s. 1829-1838. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA AV ČR IAA4072006
Institutional research plan: CEZ:AV0Z4072921
Keywords : domain averaged Fermi holes * chemical bond * metal-metal bonding
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.186, year: 2003
Permanent Link: http://hdl.handle.net/11104/0063976 - 8.0091250 - UCHP-M 20070162 HR eng A - Abstract
Ponec, Robert
Chemical Structures from the Analysis of Domain Averaged Fermi holes. Peculiarities of Metal-Metal Bonding.
[Chemická struktura z analýzy doménově průměrovaných Fermiho děr. Zvláštnosti vazeb kov-kov.]
Program & Book of Abstracts. -: -, 2007 - (Graovac, A.; Pokrić, B.; Smrećki, V.). s. 52. ISBN 978-953-6954-26-1.
[Dubrovnik International Course and Conference on the Interface among Mathematics, Chemistry and Computer Sciences MATH/CHEM/COMP/2007 /22./. 11.06.2007-19.06.2007, Dubrovnik]
R&D Projects: GA AV ČR(CZ) IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : chemical bond * domain averaged fermi holes * metal-metal bonding
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0151888