화학공학소재연구정보센터
검색결과 : 24건
No. Article
1 On the toxicity of para-substituted phenols and their quinone metabolites: Quantum chemical study
Michalik M, Poliak P, Klein E, Lukes V
Chemical Physics Letters, 709, 71, 2018
2 The computational analysis and modelling of substitution effects on hydrolysis of formanilides in acidic aqueous solutions
Lukes V, Skorna P, Michalik M, Klein E
Chemical Physics Letters, 687, 66, 2017
3 The ab initio study of halogen and hydrogen sigma(N)-bonded para-substituted pyridine ... (X-2/XY/HX) complexes
Sladek V, Skorna P, Poliak P, Lukes V
Chemical Physics Letters, 619, 7, 2015
4 Regioregular electrochromic polymers based on thienyl derivatives of fluorescent pyrene monomers: Optical properties, spectroelectrochemistry and quantum chemical study
Machata P, Rapta P, Lukes V, Idzik KR, Licha T, Beckert R, Dunsch L
Electrochimica Acta, 122, 57, 2014
5 Charged states in diphenylamino endcapped thiophenes with a 1,4-phenylene core: In situ electron spin resonance/ultraviolet-visible-near infrared and nuclear magnetic resonance spectroelectrochemistry and quantum chemical study
Rapta P, Haubner K, Machata P, Lukes V, Rosenkranz M, Schiemenz S, Klod S, Kivela H, Kvarnstrom C, Hartmann H, Dunsch L
Electrochimica Acta, 110, 670, 2013
6 Explaining the Temperature Dependence of Spirilloxanthin's S* Signal by an Inhomogeneous Ground State Model
Hauer J, Maiuri M, Viola D, Lukes V, Henry S, Carey AM, Cogdell RJ, Cerullo G, Polli D
Journal of Physical Chemistry A, 117(29), 6303, 2013
7 Stable Radical Trianions from Reversibly Formed Sigma-Dimers of Selenadiazoloquinolones Studied by In Situ EPR/UV-vis Spectroelectrochemistry and Quantum Chemical Calculations
Stasko A, Luspai K, Barbierikova Z, Rimarcik J, Vaganek A, Lukes V, Bella M, Milata V, Zalibera M, Rapta P, Brezova V
Journal of Physical Chemistry A, 116(40), 9919, 2012
8 Electronic ground state conformers of beta-carotene and their role in ultrafast spectroscopy
Lukes V, Christensson N, Milota F, Kauffmann HF, Hauer J
Chemical Physics Letters, 506(1-3), 122, 2011
9 Charged States of 1,3,5-Triazine Molecules as Models for Star-shaped Molecular Architecture: A DFT and Spectroelectrochemcial Study
Lukes V, Rapta P, Idzik KR, Beckert R, Dunsch L
Journal of Physical Chemistry B, 115(13), 3344, 2011
10 Charged States of alpha,omega-Dicyano beta,beta'-Dibutylquaterthiophene as Studied by in Situ ESR UV-Vis NIR Spectroelectrochemistry
Haubner K, Tarabek J, Ziegs F, Lukes V, Jaehne E, Dunsch L
Journal of Physical Chemistry A, 114(43), 11545, 2010