Výsledky vyhľadávania
Názov Solvents effect on excited-state polarizabilities with the corrected linear-response model Aut.údaje Šimon Budzák, Miroslav Medveď, Benedetta Mennucci, Denis Jacquemin Autor Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Spoluautori Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Mennucci Benedetta (25%)
Jacquemin Denis (25%)
Zdroj.dok. 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 Kľúč.slová efekt rozpúšťadla excitované stavy polarizovateľnosť modely lineárnej odozvy - linear response models Jazyk dok. angličtina Krajina Maďarsko Systematika 54 Kategória publikačnej činnosti AFG Číslo archívnej kópie 33066 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ 
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Názov Unveiling solvents effect on excited-state polarizabilities with the corrected linear-response model Aut.údaje Šimon Budzák ... [et al.] Autor Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Spoluautori Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Mennucci Benedetta (25%)
Jacquemin Denis (25%)
Zdroj.dok. The Journal of Physical Chemistry A. Vol. 118, no. 30 (2014), pp. 5652-5656. - Washington : The American Chemical Society, 2014 Kľúč.slová excitované stavy polarizovateľnosť efekt rozpúšťadla excited states polarizability solvent effect Jazyk dok. angličtina Krajina Spojené štáty Systematika 54 Kategória publikačnej činnosti ADC Číslo archívnej kópie 30696 Kategória ohlasu 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.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy (1) - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika nerozpoznaný
Názov Full cLR-PCM calculations of the solvatochromic effects on emission energies Aut.údaje Siwar Chibani ... [et al.] Autor Chibani Siwar (20%)
Spoluautori Budzák Šimon 1982- (20%) UMBFP08 - Katedra chémie
Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Mennucci Benedetta (20%)
Jacquemin Denis (20%)
Zdroj.dok. Physical Chemistry Chemical Physics. Vol. 16, no. 47 (2014), pp. 26024-26029. - Cambridge : The Royal Society of Chemistry (RSC), 2014 Kľúč.slová efekt rozpúšťadla cLR chémia - chemistry Jazyk dok. angličtina Krajina Veľká Británia Systematika 54 Kategória publikačnej činnosti ADC Číslo archívnej kópie 32121 Kategória ohlasu 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.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika nerozpoznaný