Number of the records: 1
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
Title 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 Author info Šimon Budzák, Pavel Mach, Miroslav Medveď, Ondrej Kyseľ Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Co-authors Mach Pavel (25%)
Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Kyseľ Ondrej 1937- (25%) UMBFP08 - Katedra chémie
Source document Physical Chemistry Chemical Physics. Vol. 17, no. 27 (2015), pp. 17618-17627. - Cambridge : The Royal Society of Chemistry (RSC), 2015 Keywords komplexy s prenosom náboja posun vplyvom rozpúšťadla kontinuálny solvatačný model charge transfer complexes solvent shift continuum solvatation model Language English Country Great Britian systematics 54 Public work category ADC No. of Archival Copy 33320 Repercussion category 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.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
unrecognised
Number of the records: 1