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Title Unveiling solvents effect on excited-state polarizabilities with the corrected linear-response model Author info Šimon Budzák ... [et al.] Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Co-authors Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Mennucci Benedetta (25%)
Jacquemin Denis (25%)
Source document The Journal of Physical Chemistry A. Vol. 118, no. 30 (2014), pp. 5652-5656. - Washington : The American Chemical Society, 2014 Keywords excitované stavy polarizovateľnosť efekt rozpúšťadla excited states polarizability solvent effect Language English Country United States of America systematics 54 Public work category ADC No. of Archival Copy 30696 Repercussion category PETRONE, Alessio - CEREZO, Javier - AVILA FERRER, Francisco J. et al. Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches. In Journal of physical chemistry A. ISSN 1089-5639, 2015, vol. 119, no. 21, pp. 5426-5438.
HEID, Esther - HUNT, Patricia A. - SCHROEDER, Christian. Evaluating excited state atomic polarizabilities of chromophores. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 13, pp. 8554-8563.
SAMANI, Mandana Tarakame - HASHEMIANZADEH, Seyed Majid. Study of solvent effect on thermodynamic stability and electron efficiency of MZ-341 dye. In Journal of molecular liquids. ISSN 0167-7322, 2019, vol. 273, pp. 27-32.
GIOVANNINI, Tommaso - RISO, Rosario Roberto - AMBROSETTI, Matteo - PUGLISI, Alessandra - CAPPELLI, Chiara. Electronic transitions for a fully polarizable QM/MM approach based on fluctuating charges and fluctuating dipoles : linear and corrected linear response regimes. In Journal of chemical physics. ISSN 0021-9606, 2019, vol. 151, no. 17, pp. 1-14.
BIAGGNE, Austin - KNOWLTON, William B. - YURKE, Bernard - LEE, Jeunghoon - LI, Lan. Substituent effects on the solubility and electronic properties of the cyanine dye Cy5 : density functional and time-dependent density functional theory calculations. In Molecules. ISSN 1420-3049, 2021, vol. 26, no. 3, pp. 1-15.
HEID, Esther - HEINDL, Moritz - DIENSTL, Patricia - SCHROEDER, Christian. Additive polarizabilities of halides in ionic liquids and organic solvents. In Journal of chemical physics. ISSN 0021-9606, 2018, vol. 149, no. 4.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References (1) - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
unrecognised
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 unrecognised
Title Solvents effect on excited-state polarizabilities with the corrected linear-response model Author info Šimon Budzák, Miroslav Medveď, Benedetta Mennucci, Denis Jacquemin Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Co-authors Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Mennucci Benedetta (25%)
Jacquemin Denis (25%)
Source document CESTC 2014 : Central European symposium on theoretical chemistry : book of abstracts : 21-25 September 2014, Nagybörzsöny, Hungary. S. 54. - Budapešť : Connections 2000 KFT, 2014 ; CESTC 2014 stredoeurópske sympózium Keywords efekt rozpúšťadla excitované stavy polarizovateľnosť modely lineárnej odozvy - linear response models Language English Country Hungary systematics 54 Public work category AFG No. of Archival Copy 33066 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised