Search results
- 1.0104956 - UCHP-M 20040210 FR eng A - Abstract
Bultinck, P. - Carbó-Dorca, R. - Ponec, Robert
Multicenter Bond Indices from Projection Density Population Analysis.
Book of Abstracts. Les Houches: CNRS & Universite Joseph Fourier, 2004. s. 1.
[European Workshop on Quantum Systems in Chemistry and PhysicsUR. 25.09.2004-30.09.2004, Les Houches]
R&D Projects: GA AV ČR IAA4072403
Keywords : analysis * multicenter bond
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0012215 - 2.0104808 - UCHP-M 20040062 FI eng A - Abstract
Ponec, Robert
Chemical Structures from the Analysis of Domain Averaged Fermi Holes. Peculiarity of Metal-metal Bonding.
Book of Abstracts. Vol. II. Jyväskylä: University of Jyväskylä, 2004. s. 282. ISBN 951-39-1867-X.
[European Congress on Computational Methods in Applied Sciences and Engineering ECCOMAS 2004 /4./. 24.07.2004-28.07.2004, Jyväskylä]
R&D Projects: GA AV ČR IAA4072403
Institutional research plan: CEZ:AV0Z4072921
Keywords : fermi hole analysis * metal-metal bondng
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0012073 - 3.0104778 - UCHP-M 20040032 PL eng A - Abstract
Ponec, Robert
Domain Averaged Fermi Holes. A New Tool for the Analysis and Visualization of Chemical Bonding.
Books of Abstrats. 2004. s. 1.
[Pomeranian Quantum Chemistry and Physics Workshop. Electronic Structure of Atoms and Molecules. 20.05.2004-23.05.2004, Pobierowo]
R&D Projects: GA AV ČR IAA4072403
Institutional research plan: CEZ:AV0Z4072921
Keywords : chemical bond * Fermi holes * pair density
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0012044 - 4.0091250 - 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 - 5.0055017 - UCHP-M 20060090 GB eng A - Abstract
Ponec, Robert - Cooper, D.
Anatomy of Bond Formation. Bond Length Dependence of the Extent of Electron Sharing in Chemical Bonds from the Analysis of Domain Averaged Fermi holes.
[Anatomie vzniku vazby. Závislost elektronového sdílení v chemických vazbách na délce vazby z analýzy doménově průměrovaných Fermiho děr.]
Final Programme.. Manchester: Royal Society of Chemistry, 2006. s. 135/02.
[FD135: Chemical Concepts from Quantum Mechanics. 04.09.2006-06.09.2006, Manchester]
R&D Projects: GA AV ČR IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : domain-average Fermi hole * electron correlation * investigation
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0142873 - 6.0054886 - UCHP-M 20060024 BE eng A - Abstract
Ponec, Robert - Bultinck, P. - Carbó-Dorca, R.
Generalized Population Analysis as a Means to Quantify Aromaticity.
[Zobecněná populační analýza jako nástroj pro kvatnitativní charakterizaci aromaticity.]
Book of Abstracts. Prague: Institute of Physics, AS CR, 2006. C1.
[A Three Day International Conference on Theoretical Aspects of Reactivity. 06.04.05-06.04.07, Brussel]
R&D Projects: GA AV ČR(CZ) IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : aromaticity measures * multicenter bond indices * generalized population analysis
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0142794 - 7.0029200 - UCHP-M 20050277 HR eng A - Abstract
Bultinck, P. - Gallegos, A. - Van Damme, S. - Ponec, Robert - Carbó-Dorca, R.
A Molecular Quantum Similarity Approach to Aromaticity.
Book of Abstracts. Zagreb: -, 2005 - (Graovac, A.; Pokric, .; Smrecki, V.). s. 9. ISBN 953-6690-51-9.
[International Course and Conference on the Interface among Mathematics, Chemistry and Computer Science MATH/CHEM/COMP 2005 /20./. 20.06.2005-25.06.2005, Dubrovnik]
R&D Projects: GA AV ČR(CZ) IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : aromaticity measssures * noel
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0119066 - 8.0028568 - UCHP-M 20050082 HR eng A - Abstract
Bultinck, P. - Gallegos, A. - Van Damme, S. - Ponec, Robert - Carbó-Dorca, R.
A Molecular Quantum Similarity Approach to Aromaticity.
Program & Book of Abstracts. Zagreb: Ruder Bošković Institute, 2005 - (Graovac, A.; Pokrić, B.; Smrečki, V.). s. 9. ISBN 953-6690-51-9.
[MATH/CHEM/COMP2005 Dubrovnik International Course and Conference on the Interfaces among Mathematics, Chemistry and Computer Sciences. 20.06.2005-25.06.2005, Dubrovnik]
R&D Projects: GA AV ČR(CZ) IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : molecular similarity * aromaticity
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0118496