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Full cLR-PCM calculations of the solvatochromic effects on emission energies
Title Full cLR-PCM calculations of the solvatochromic effects on emission energies Author info Siwar Chibani ... [et al.] Author Chibani Siwar (20%)
Co-authors Budzák Šimon 1982- (20%) UMBFP08 - Katedra chémie
Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Mennucci Benedetta (20%)
Jacquemin Denis (20%)
Source document Physical Chemistry Chemical Physics. Vol. 16, no. 47 (2014), pp. 26024-26029. - Cambridge : The Royal Society of Chemistry (RSC), 2014 Keywords efekt rozpúšťadla cLR chémia - chemistry Language English Country Great Britian systematics 54 Public work category ADC No. of Archival Copy 32121 Repercussion category KELTERER, Anne-Marie - URAY, Georg - FABIAN, Walter M. F. Rational design of long-wavelength absorbing and emitting carbostyrils aided by time-dependent density functional calculations. In Computational and theoretical chemistry. ISSN 2210-271X, 2015, vol. 1055, pp. 25-32.
OSMIALOWSKI, Borys - ZAKRZEWSKA, Anna - JEDRZEJEWSKA, Beata - GRABARZ, Anna - ZALESNY, Robert - BARTKOWIAK, Wojciech - KOLEHMAINEN, Erkki. Influence of substituent and benzoannulation on photophysical properties of 1-Benzoylmethyleneisoquinoline difluoroborates. In Journal of organic chemistry. ISSN 0022-3263, 2015, vol. 80, no. 4, pp. 2072-2080.
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.
JEDRZEJEWSKA, B. - OSMIALOWSKI, B. - ZALESNY, R. Application of spectroscopic and theoretical methods in the studies of photoisomerization and photophysical properties of the push-pull styryl-benzimidazole dyes. In Photochemical and photobiological sciences. ISSN 1474-905X, 2016, vol. 15, no. 1, pp. 117-128.
LAINE, Marina - BARBOSA, Nuno A. - WIECZOREK, Robert - MELNIKOV, Mikhail Ya. - FILAROWSKI, Aleksander. Calculations of BODIPY dyes in the ground and excited states using the M06-2X and PBE0 functionals. In Journal of molecular modeling. ISSN 1610-2940, 2016, vol. 22, no. 11, pp. 1-7.
WONG, Z. C. - FAN, W. Y. - CHWEE, T. S. - SULLIVAN, Michael B. Using non-empirically tuned range-separated functionals with simulated emission bands to model fluorescence lifetimes. In Physical chemistry chemical physics. ISSN 1463-9076, 2017, vol. 19, no. 31, pp. 21046-21057.
HERBERT, John M. Dielectric continuum methods for quantum chemistry. In Wiley interdisciplinary reviews. Computational molecular science. ISSN 1759-0876, 2021, vol. 11, no. 4, pp. 1-7.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
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