Search results
- 1.0349252 - ÚCHP 2011 RIV US eng J - Journal Article
Bultinck, P. - Cooper, D.L. - Ponec, Robert
The Influence of Atoms-in Molecules Methods on Shared Electron Distribution Indices and Domain Averaged Fermi Holes.
Journal of Physical Chemistry A. Roč. 114, č. 33 (2010), s. 8754-8763. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA ČR GA203/09/0118
Institutional research plan: CEZ:AV0Z40720504
Keywords : shared electron distribution index * domain averaged fermi holes * atoms in molecules
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.732, year: 2010
Permanent Link: http://hdl.handle.net/11104/0006083 - 2.0341493 - ÚCHP 2010 RIV US eng J - Journal Article
Ponec, Robert - Bultinck, P. - Gutta, P. - Tantillo, D.J.
Multicenter Bonding in Carbocations with Tetracoordinated Protons.
Journal of Physical Chemistry A. Roč. 110, č. 10 (2006), s. 3785-3789. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : nonclassical carbocations * multicenter bonding
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.047, year: 2006
Permanent Link: http://hdl.handle.net/11104/0005812 - 3.0321095 - ÚCHP 2009 RIV HU hun J - Journal Article
Ponec, Robert - Fias, S. - Bultinck, P. - Gutman, I. - Stankovic, S.
Benzoid szénhidrogének aromás és lokális aromás tulajdonságairól.
[On Aromaticity and Local Aromaticity of Benzenoid Hydrocarbons.]
Magyar Kemiai Folyoirat, Kemiai Kozlemenyek. Roč. 114, č. 4 (2008), s. 177-182. ISSN 1418-9933
Institutional research plan: CEZ:AV0Z40720504
Keywords : aromaticity * cyclic delocalization * energy effects of cycles
Subject RIV: CF - Physical ; Theoretical Chemistry
Permanent Link: http://hdl.handle.net/11104/0169771 - 4.0320867 - ÚCHP 2009 RIV CZ eng J - Journal Article
Ponec, Robert - Fias, S. - Van Damme, S. - Bultinck, P. - Gutman, I. - Stanković, S.
The Close Relation between Cyclic Delocalization, Energy Effects of Cycles and Aromaticity.
[Těsný vztah mezi cyclickou delokalizací, energetickými efekty cyklů a aromaticitou.]
Collection of Czechoslovak Chemical Communications. Roč. 74, č. 1 (2009), s. 147-166. ISSN 0010-0765
R&D Projects: GA AV ČR IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : arenes * electron delocalization * aromacity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.856, year: 2009
Permanent Link: http://hdl.handle.net/11104/0169604 - 5.0081908 - UCHP-M 20070057 RIV GB eng J - Journal Article
Bultinck, P. - Ponec, Robert - Carbó-Dorca, R.
Aromaticity in Linear Polyacenes: Generalize Population Analysis and Molecular Quantum Similarity Approach.
[Relativní aromaticita benzenoidních kruhů v lineárních polyacenech byla studována pomocí dvou nových přístupů.]
Journal of Computational Chemistry. Roč. 28, 1 (2007) , s. 152-160. ISSN 0192-8651. E-ISSN 1096-987X
R&D Projects: GA AV ČR(CZ) IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : polyacenes * aromaticity * density function
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.297, year: 2007
Permanent Link: http://hdl.handle.net/11104/0145632 - 6.0055257 - UCHP-M 20060251 RIV HR eng J - Journal Article
Bultinck, P. - Ponec, Robert - Gallegos, A. - Fias, S. - Van Damme, S. - Carbó-Dorca, R.
Generalized Polansky Index as an Aromacity Measure in Polycyclic Aromatic Hydrocarbons.
[Zobecněný Polanského index jako míra aromaticity v polycyklických aromatických uhlovodících.]
Croatica Chemica Acta. Roč. 79, č. 3 (2006), s. 363-371. ISSN 0011-1643. E-ISSN 1334-417X
R&D Projects: GA AV ČR(CZ) IAA4072403
Grant - others:MCT(BE) BQU2003/7420/C05/01
Institutional research plan: CEZ:AV0Z40720504
Keywords : polansky index * quantum similarity * aromaticity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.778, year: 2006
Permanent Link: http://hdl.handle.net/11104/0143061 - 7.0055202 - UCHP-M 20060208 RIV DE eng J - Journal Article
Bultinck, P. - Fijas, S. - Ponec, Robert
Local Aromacity in Polycyclic Aromatic Hydrocarbons: Electron Delocalization versus Magnetic Indices.
[Lokální aromaticta v polycyklických aromatických uhlovodících. Delokalizační vs. Magnetické indexy.]
Chemistry - A European Journal. Roč. 12, č. 34 (2006), s. 8813-8818. ISSN 0947-6539. E-ISSN 1521-3765
R&D Projects: GA AV ČR(CZ) IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : aromacity measures * delocalizations vs. magnetics indices
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 5.015, year: 2006
Permanent Link: http://hdl.handle.net/11104/0143016 - 8.0055014 - UCHP-M 20060089 RIV US eng J - Journal Article
Bultinck, P. - Rafat, M. - Ponec, Robert - Van Gheluwe, B. - Carbó-Dorca, R. - Popelier, P.
Electron Delocalization and Aromacity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index.
[Elektronova delokalizace a aromaticita v linearnich polyacenech. AIM multicenricky delokalizacni index.]
Journal of Physical Chemistry A. Roč. 110, č. 24 (2006), s. 7642-7648. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR(CZ) IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : aromaticity * aim multicenter bond indices * sci
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.047, year: 2006
Permanent Link: http://hdl.handle.net/11104/0003877 - 9.0028613 - UCHP-M 20050104 RIV US eng J - Journal Article
Ponec, Robert - Bultinck, P. - Gallegos, A.
Multicenter Bond Indices as a New Means for the Quantitative Characterization of Homoaromaticity.
[Vícecentrické vazebné indexy jako nový prostředek pro kvantitativní charakterizaci homoaromaticity.]
Journal of Physical Chemistry A. Roč. 109, č. 29 (2005), s. 6606-6609. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA AV ČR(CZ) IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : aromaticity measures * homoaromaticity * bond indices
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.898, year: 2005
Permanent Link: http://hdl.handle.net/11104/0003276 - 10.0028611 - UCHP-M 20050102 RIV GB eng J - Journal Article
Bultinck, P. - Ponec, Robert - Van Damme, S.
Multicenter Bond Indices as a New Measure of Aromaticity in Polycyclic Aromatic Hydrocarbons.
[Vícecentrické vazebné indexy jako nový nástroj pro charakterizaci aromaticity polycycklických aromatických uhlovodíků.]
Journal of Physical Organic Chemistry. Roč. 18, č. 8 (2005), s. 706-718. ISSN 0894-3230. E-ISSN 1099-1395
R&D Projects: GA AV ČR(CZ) IAA4072403
Institutional research plan: CEZ:AV0Z40720504
Keywords : multicenter bond indices * polycyclic aromatic hydrocarbons * aromaticity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.520, year: 2005
Permanent Link: http://hdl.handle.net/11104/0118535