Search results
- 1.0368245 - ÚOCHB 2012 RIV GB eng J - Journal Article
Maity, S. - Patwari, G. N. - Sedlák, Robert - Hobza, Pavel
A .pi.-stacked phenylacetylene dimer.
Physical Chemistry Chemical Physics. Roč. 13, č. 37 (2011), s. 16706-16712. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT LC512
Grant - others:European Social Fund(XE) CZ.1.05./2.1.00/03.0058
Institutional research plan: CEZ:AV0Z40550506
Keywords : non-covalent * dispersion * electrostatic
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.573, year: 2011
Permanent Link: http://hdl.handle.net/11104/0202641 - 2.0332929 - ÚOCHB 2010 RIV GB eng J - Journal Article
Maity, S. - Sedlák, Robert - Hobza, Pavel - Patwari, G. N.
Infrared–optical double resonance spectroscopic measurements and high level ab initio calculations on a binary complex between phenylacetylene and borane-trimethylamine. Understanding the role of C–H_ _ _p interactions.
Physical Chemistry Chemical Physics. Roč. 11, č. 42 (2009), s. 9738-9743. ISSN 1463-9076. E-ISSN 1463-9084
R&D Projects: GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : IR-UV spectroscopy * ab initio calculations * phenylacetylene * borane-trimethylamine
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.116, year: 2009
Permanent Link: http://hdl.handle.net/11104/0178042 - 3.0327945 - ÚOCHB 2010 RIV US eng J - Journal Article
Sedlák, Robert - Hobza, Pavel - Patwari, G. N.
Hydrogen-Bonded Complexes of Phenylacetylene with Water, Methanol, Ammonia, and Methylamine. The Origin of Methyl Group-Induced Hydrogen Bond Switching.
Journal of Physical Chemistry A. Roč. 113, č. 24 (2009), s. 6620-6625. ISSN 1089-5639. E-ISSN 1520-5215
R&D Projects: GA MŠMT LC512
Grant - others:DST(IN) SR/S1/PC/23/2008
Institutional research plan: CEZ:AV0Z40550506
Keywords : infrared spectra * ab initio CCSD(T) calculations * phenylacetylene
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.899, year: 2009
Permanent Link: http://hdl.handle.net/11104/0005402