Number of the records: 1  

MP2, DFT-D, and PCM study of the HMB-TCNE complex: thermodynamics, electric properties, and solvent effects

  1. TitleMP2, DFT-D, and PCM study of the HMB-TCNE complex: thermodynamics, electric properties, and solvent effects
    Author infoOndrej 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  
    LanguageEnglish
    CountryUnited States of America
    systematics 54
    Public work category ADC
    No. of Archival Copy10152
    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
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    ReferencesPERIODIKÁ-Súborný záznam periodika
    unrecognised

    unrecognised

Number of the records: 1  

  This site uses cookies to make them easier to browse. Learn more about how we use cookies.