Search results
- 1.0429833 - ÚOCHB 2015 RIV GB eng J - Journal Article
Pandiyan, B. V. - Kolandaivel, P. - Deepa, Palanisamy
A theoretical perspective of the nature of hydrogen-bond types - the atoms in molecules approach.
Molecular Physics. Roč. 112, č. 12 (2014), s. 1609-1623. ISSN 0026-8976. E-ISSN 1362-3028
Institutional support: RVO:61388963
Keywords : hydrogen bond * proton affinity * deprotanation enthalpy * atoms in molecules * chemical shift
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 1.720, year: 2014
Permanent Link: http://hdl.handle.net/11104/0234952 - 2.0427052 - FZÚ 2014 RIV US eng O - Others
Palatinus, Lukáš - Prathapa, S.J. - van Smaalen, S.
EDMA: a computer program for topological analysis of discrete electron densities. Journal of Applied Crystallography. Roč. 45, Part 3 (2012), 575-580.
2012
Institutional support: RVO:68378271
Keywords : discrete electron density * maximum entropy method * atoms in molecules
Subject RIV: BM - Solid Matter Physics ; Magnetism
http://dx.doi.org/10.1107/S0021889812016068
Permanent Link: http://hdl.handle.net/11104/0232664 - 3.0384219 - FZÚ 2013 RIV GB eng J - Journal Article
Palatinus, Lukáš - Prathapa, S.J. - van Smaalen, S.
EDMA: a computer program for topological analysis of discrete electron densities.
Journal of Applied Crystallography. Roč. 45, Part 3 (2012), 575-580. ISSN 0021-8898. E-ISSN 1600-5767
Institutional research plan: CEZ:AV0Z10100521
Keywords : discrete electron density * maximum entropy method * atoms in molecules
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.343, year: 2012
Permanent Link: http://hdl.handle.net/11104/0007245 - 4.0349252 - 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