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1. Theoretical analysis of charge-transfer electronic spectra of methylated benzenes -TCNE complexes including solvent effects: approaching experiment
| Názov | Theoretical analysis of charge-transfer electronic spectra of methylated benzenes -TCNE complexes including solvent effects: approaching experiment |
|---|---|
| Aut.údaje | Pavel Mach ... [et al.] |
| Autor | Mach Pavel (25%) |
| Spoluautori | Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie Kysel Ondrej (25%) UMBFP08 - Katedra chémie |
| Zdroj.dok. | Theoretical Chemistry Accounts. Vol. 131, no. 9 (2012), pp. 1268-1282. - Heidelberg : Springer Verlag, 2012 |
| Kľúč.slová | prenos náboja excitačná energia CC2 vplyv rozpúšťadla charge transfer complexes excitation energy PCM solvent effects |
| Jazyk dok. | angličtina |
| Krajina | Spojené štáty |
| Systematika | 54 |
| Kategória publikačnej činnosti | ADC |
| Číslo archívnej kópie | 23323 |
| Kategória ohlasu | TSUJI, Y. - YOSHIZAWA, K. Current rectification through π-π Stacking in multilayered donor-acceptor cyclophanes. In Journal of physical chemistry C. ISSN 1932-7447, 2012, vol. 116, no. 50, pp. 26625-26635. CHIU, Chih-Chung - HUNG, Chih-Chang - CHEN, Chien-Lin - CHENG, Po-Yuan. Ultrafast time-resolved broadband fluorescence studies of the Benzene-Tetracyanoethylene complex : solvation, vibrational relaxation, and charge recombination dynamics. In Journal of physical chemistry B. ISSN 1520-6106, 2013, vol. 117, no. 33, pp. 9734-9756. KRYKUNOV, Mykhaylo - SETH, Mike - ZIEGLER, Tom. Introducing constricted variational density functional theory in its relaxed self-consistent formulation (RSCF-CV-DFT) as an alternative to adiabatic time dependent density functional theory for studies of charge transfer transitions. In Journal of chemical physics. ISSN 0021-9606, 2014, vol. 140, no. 18, art. no. 18A502. PIACENTE, Giovanni - AMADEI, Andrea - D'ABRAMO, Marco et al. Theoretical-computational modeling of photo-induced charge separation spectra and charge recombination kinetics in solution. In Physical chemistry chemical physics. ISSN 1463-9076, 2014, vol. 16, no. 38, pp. 20624-20638. 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. LAURENT, Adele D. - JACQUEMIN, Denis. TD-DFT benchmarks : a review. In International journal of quantum chemistry. ISSN 0020-7608, 2013, vol. 113, no. 17, pp. 2019-2039. AQUINO, Adelia J. A. - BORGES, Itamar - NIEMAN, Reed - KOEHN, Andreas - LISCHKA, Hans. Intermolecular interactions and charge transfer transitions in aromatic hydrocarbon-tetracyanoethylene complexes. In Physical chemistry chemical physics. ISSN 1463-9076, 2014, vol. 16, no. 38, pp. 20586-20597. CHIU, Chih-Chung - HUNG, Chih-Chang - CHENG, Po-Yuan. Ultrafast charge recombination dynamics in ternary electron donor-acceptor complexes : (benzene)(2)-tetracyanoethylene complexes. In Journal of physical chemistry B. ISSN 1520-6106, 2016, vol. 120, no. 48, pp. 12390-12403. |
| Katal.org. | BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici |
| Báza dát | xpca - PUBLIKAČNÁ ČINNOSŤ |
| Odkazy | PERIODIKÁ-Súborný záznam periodika |