1. MP2, DFT-D, and PCM study of the HMB-TCNE complex: thermodynamics, electric properties, and solvent effects
| Title | MP2, DFT-D, and PCM study of the HMB-TCNE complex: thermodynamics, electric properties, and solvent effects |
|---|---|
| Author info | Ondrej Kysel ... [et al.] |
| Co-authors | Kyseľ Ondrej 1937- (25%) |
| Another authors | Budzák Šimon 1982- (Author) (25%) UMBFP08 - Katedra chémie Medveď Miroslav 1971- (Author) (25%) UMBFP08 - Katedra chémie Mach Pavel (Author) (25%) |
| Source document | International Journal of Quantum Chemistry. Vol. 108, no. 9 (2008), pp. 1533-1545. - Hoboken : Wiley-Blackwell, 2008 |
| Keywords | HMB-TCNE komplex termodynamické vlastnosti elektrické vlastnosti MP2 metóda PCM solvent efekty HMB-TCNE complex thermodynamic properties electric properties MP2 method PCM solvent effects |
| Language | English |
| Country | United States of America |
| systematics | 54 |
| Public work category | ADC |
| No. of Archival Copy | 10152 |
| Repercussion category | REZAC, Jan - JURECKA, Petr - RILEY, Kevin E. - CERNY, Jiri - VALDES, Haydee - PLUHACKOVA, Kristyna - BERKA, Karel - REZAC, Tomas - PITONAK, Michal - VONDRASEK, Jiri - HOBZA, Pavel. Quantum chemical benchmark energy and geometry database for molecular clusters and complex molecular systems (www.begdb.com): a users manual and examples. In Collection of Czechoslovak chemical communications. ISSN 0010-0765, 2008, vol. 73, no. 10, pp. 1261-1270. KOVALCHUK, K. - LANDMAN, M. - MASALOVA, I. A computational study of the succinimide derivative surfactant. In Journal of dispersion science and technology. ISSN 0193-2691, 2013, vol. 34, no. 6, pp. 778-784. 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. 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. |
| Catal.org. | BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici |
| Database | xpca - PUBLIKAČNÁ ČINNOSŤ |
| References | PERIODIKÁ-Súborný záznam periodika |