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Critical analysis of spectral solvent shifts calculated by the contemporary PCM approaches of a representative series of charge-transfer complexes between tetracyanoethylene and methylated benzenes
Názov Critical analysis of spectral solvent shifts calculated by the contemporary PCM approaches of a representative series of charge-transfer complexes between tetracyanoethylene and methylated benzenes Aut.údaje Šimon Budzák, Pavel Mach, Miroslav Medveď, Ondrej Kyseľ Autor Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Spoluautori Mach Pavel (25%)
Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Kyseľ Ondrej 1937- (25%) UMBFP08 - Katedra chémie
Zdroj.dok. Physical Chemistry Chemical Physics. Vol. 17, no. 27 (2015), pp. 17618-17627. - Cambridge : The Royal Society of Chemistry (RSC), 2015 Kľúč.slová komplexy s prenosom náboja posun vplyvom rozpúšťadla kontinuálny solvatačný model charge transfer complexes solvent shift continuum solvatation model Jazyk dok. angličtina Krajina Veľká Británia Systematika 54 Kategória publikačnej činnosti ADC Číslo archívnej kópie 33320 Kategória ohlasu WANG, Hailong. Theoretical study on the molecular structure, intermolecular interaction and spectral features of 2-aminopyridine/2,3-dichloro-5,6-dicyano-1,4-benzoquinone complex. In Journal of chemical sciences. ISSN 0974-3626, 2017, vol. 129, no. 6, pp. 775-782.
GIESEKING, Rebecca L. - RATNER, Mark A. - SCHATZ, George C. Implementation of INDO/SCI with COSMO implicit solvation and benchmarking for solvatochromic shifts. In Journal of physical chemistry A. ISSN 1089-5639, 2016, vol. 120, no. 49, pp. 9878-9885.
MEWES, Jan-Michael - HERBERT, John M. - DREUW, Andreas. On the accuracy of the general, state-specific polarizable-continuum model for the description of correlated ground-and excited states in solution. In Physical chemistry chemical physics. ISSN 1463-9076, 2017, vol. 19, no. 2, pp. 1644-1654.
SKUPA, Katarina - URBAN, Jan. Modifications of the chromophore of Spinach aptamer based on QM : MM calculations. In Journal of molecular modeling. ISSN 1610-2940, 2017, vol. 23, no. 2, pp. [1-12].
MEWES, Jan-Michael. Modeling TADF in organic emitters requires a careful consideration of the environment and going beyond the Franck-Condon approximation. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 18, pp. 12454-12469.
HERBERT, John M. Dielectric continuum methods for quantum chemistry. In Wiley interdisciplinary reviews. Computational molecular science. ISSN 1759-0876, 2021, vol. 11, no. 4.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika 
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