Search results
- 1.0441769 - ÚOCHB 2015 RIV HR eng J - Journal Article
Váňa, J. - Roithová, J. - Kotora, Martin - Beran, Pavel - Rulíšek, Lubomír - Kočovský, Pavel
Proton Affinities of Organocatalysts Derived from Pyridine N-oxide.
Croatica Chemica Acta. Roč. 87, č. 4 (2014), s. 349-356. ISSN 0011-1643. E-ISSN 1334-417X
R&D Projects: GA ČR(CZ) GA14-31419S
Grant - others:GA ČR(CZ) GAP207/11/0587
Institutional support: RVO:61388963
Keywords : density functional theory * isodesmic reactions * kinetic method * mass spectrometry * organocatalysis * proton affinity * superbases
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.728, year: 2014
Permanent Link: http://hdl.handle.net/11104/0244759 - 2.0326750 - ÚOCHB 2010 RIV CZ eng J - Journal Article
Milko, Petr - Schröder, Detlef - Lemr, K. - Žabka, Ján - Alcaraz, Ch. - Roithová, J.
First and second ionization energies of 1,3,5-trimethylbenzene and 2,4,6-trimethylpyridine.
Collection of Czechoslovak Chemical Communications. Roč. 74, č. 1 (2009), s. 101-114. ISSN 0010-0765
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503
Keywords : ionization energy * isodesmic reactions * Jahn-Teller effect * mass spectrometry * synchrotron
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.856, year: 2009
Permanent Link: http://hdl.handle.net/11104/0173758 - 3.0313815 - ÚOCHB 2009 RIV GB eng J - Journal Article
Böhm, S. - Exner, Otto
Steric effects of polar substituents evaluated in terms of energy by means of isodesmic reactions.
[Stérické efekty polárních substituentů posuzované na základě energií isodesmických reakcí.]
Organic & Biomolecular Chemistry. Roč. 6, č. 6 (2008), s. 1092-1096. ISSN 1477-0520. E-ISSN 1477-0539
Institutional research plan: CEZ:AV0Z40550506
Keywords : isodesmic reactions * steric effects
Subject RIV: CC - Organic Chemistry
Impact factor: 3.550, year: 2008
Permanent Link: http://hdl.handle.net/11104/0164523 - 4.0194923 - UOCHB-X 20030231 RIV GB eng J - Journal Article
Böhm, S. - Exner, Otto
Acidity of hydroxamic acids and amides.
Organic & Biomolecular Chemistry. Roč. 1, č. 7 (2003), s. 1176-1180. ISSN 1477-0520. E-ISSN 1477-0539
R&D Projects: GA AV ČR IAA4072005
Institutional research plan: CEZ:AV0Z4055905
Keywords : hydroxamic acids * DFT calculations * isodesmic reactions
Subject RIV: CC - Organic Chemistry
Impact factor: 0.000, year: 2003
Permanent Link: http://hdl.handle.net/11104/0090593 - 5.0087621 - ÚOCHB 2008 RIV CZ eng J - Journal Article
Böhm, S. - Exner, Otto
Revision of the dual-substituent-parameter treatment ; reaction series with a donor reaction centre.
[Revize metody duálních substitučních parametrů: reakční serie s reakčním centrem charakteru donoru.]
Collection of Czechoslovak Chemical Communications. Roč. 72, č. 8 (2007), s. 1158-1176. ISSN 0010-0765
Institutional research plan: CEZ:AV0Z40550506
Keywords : aniline derivatives * isodesmic reactions * phenol derivatives * basicity * acidity
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 0.879, year: 2007
Permanent Link: http://hdl.handle.net/11104/0149431 - 6.0041080 - ÚOCHB 2007 RIV CZ eng J - Journal Article
Exner, Otto - Böhm, S.
Analysis of the ortho effect:: basicity of 2-substituted benzonitriles.
[Analýza ortho efektu: bazicita 2-substituovaných benzonitrilů.]
Collection of Czechoslovak Chemical Communications. Roč. 71, č. 8 (2006), s. 1239-1255. ISSN 0010-0765
Institutional research plan: CEZ:AV0Z40550506
Keywords : isodesmic reactions * steric effects * ab initio calculations
Subject RIV: CC - Organic Chemistry
Impact factor: 0.881, year: 2006
Permanent Link: http://hdl.handle.net/11104/0134665