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- Substitution Effect on the Intermolecular Halogen and Hydrogen Bonds of the sigma-Bonded Fluorinated Pyridine.XY/HX Complexes (XY = F2, Cl2, ClF; HX = HF, HCl)
Sládek Vladimír ; C5280 Punyain Kraiwan Ilčin Michal ; C5280 Lukeš Vladimír ; C5280
Scientific Meeting of Institute of Physical Chemistry and Chemical Physics, Kočovce 28.-30.5.2014 : . e-book, s. 37-38
dihalogens complex stability Gibbs free energy atmosphere chemistry sigma-hole
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- Substitution Effect on the Intermolecular Halogen and Hydrogen Bonds of the r-Bonded Fluorinated Pyridine...XY/HX Complexes (XY=F-2, Cl-2,Cl- ClF; HX=HF, HCl)
Sládek Vladimír ; C5280 Punyain Kraiwan Ilčin Michal ; C5280 Lukeš Vladimír ; C5280
International Journal of Quantum Chemistry . Vol. 114, iss. 13 (2014), s. 869-878
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- Theoretical study of EMPO based spin trapping agents: Investigation of structure and physico-chemical properties
Rimarčík Ján ; C5280 Rottmannová Lenka ; C5280 Vagánek Adam ; C5210 Škorňa Peter ; C5280 Punyain Kraiwan
Book of abstracts XXV International EPR Seminar, Častá - Papiernička, April 10-12, 2013 . s.73-74
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- On the applicability of the molecular dynamics SCC-DFTB treatment on optical spectra simulations for thiophene and phenyl containing oligomers
Lukeš Vladimír ; C5280 Rimarčík Ján ; C5280 Rottmannová Lenka ; C5280 Punyain Kraiwan Klein Erik ; C5210 Kelterer Anne-Marie
Computational and Theoretical Chemistry . Vol. 999 (2012), s.55-65
kvantová chémia aromatické molekuly spektroskopia
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- Theoretical study of 2-phenylpyrrole molecule using various quantum-chemical approaches
Rottmannová Lenka ; C5280 Punyain Kraiwan Rimarčík Ján ; C5280 Lukeš Vladimír ; C5280 Klein Erik ; C5210 Kelterer Anne-Marie
Acta Chimica Slovaca . s.21-28
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- Theoretical Study on the IR Spectra and the Photophysics of Substituted Quinolones
Rimarčík Ján ; C5280 Punyain Kraiwan Lukeš Vladimír ; C5280 Klein Erik ; C5210 Milata Viktor ; C8140 Brezová Vlasta ; C5210 Kelterer Anne-Marie
2010
2nd International Workshop on Physical Chemistry and Material Physics, June 1-4, 2010, Častá-Papiernička . 2010), s.13-14
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- Theoretical Study of Electronic Structureof Ethyl 1,4-Dihydro-6-Fluoro-8-Nitro-4-Oxoquinoline-3-Carboxylatein Neutral and Anion Radical Forms
Lukeš Vladimír ; C5280 Rimarčík Ján ; C5280 Klein Erik ; C5210 Punyain Kraiwan Kelterer Anne-Marie Milata Viktor ; C8140 Brezová Vlasta ; C5210
2010
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