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Records found: 5  
Your query: Keywords = "TCNE"
  1. TitleCritical analysis of spectral solvent shifts calculated by different PCM approaches of representative series of charge-transfer complexes between TCNE and methylated benzenes
    Author infoŠimon Budzák, Ondrej Kyseľ, Miroslav Medveď, Pavel Mach
    Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
    Co-authors Kyseľ Ondrej 1937- (25%) UMBFP08 - Katedra chémie
    Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
    Mach Pavel (25%)
    Source document Advances in computational spectroscopy (CODECS 2014) : workshop CMST Action CM1002-CODECS, October 23-27, 2014 Bratislava : book of abstracts. S. 111. - Banská Bystrica : Matej Bel University, 2014 / Medveď Miroslav 1971- ; Advances in computational spectroscopy (CODECS 2014) workshop
    Keywords PCM solvent efekty   PCM solvent effects   TCNE  
    LanguageEnglish
    CountrySlovak Republic
    systematics 54
    Public work category AFH
    No. of Archival Copy32027
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    unrecognised

    unrecognised

  2. TitleComputational study of CT excitations in methylated benzenes – TCNE complexes
    Author infoŠimon Budzák ... [et al.]
    Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
    Co-authors Mach Pavel (25%)
    Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
    Kyseľ Ondrej 1937- (25%) UMBFP08 - Katedra chémie
    Source document 11-th Central European Symposium on Theoretical Chemistry : September 2 - 5, 2012 Mariapharr, Austria : conference book. S. 17. - Graz : University of Graz, 2012 ; 11-th Central European Symposium on Theoretical Chemistry European symposium
    Keywords excitácia s prenosom náboja   TCNE   metylbenzény   methylbenzenes  
    LanguageEnglish
    CountryAustria
    systematics 54
    Public work category BFA
    No. of Archival Copy23336
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    unrecognised

    unrecognised

  3. TitleCharge transfer excitations in methyl substituted benzene-tetracyanoethylene complexes
    Author infoŠimon Budzák ... [et al.]
    Author Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
    Co-authors Kyseľ Ondrej 1937- (25%)
    Mach Pavel (25%)
    Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
    Source document JCS Symposium on Theoretical Chemistry 2011 : conference book : May 18 - 20, Liblice, Czech republic. S. [1]. - Liblice : UOCHB AV ČR, 2011 ; JCS Symposium on Theoretical Chemistry 2011 conference
    Keywords komplexy metylbenzénu - TCNE   tetrakyanoetén   UV-VIS spektrum  
    LanguageEnglish
    CountryCzech Republic
    systematics 54
    Public work category GII
    No. of Archival Copy19254
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    unrecognised

    unrecognised

  4. TitleMP2 and DFT study of IR spectra of TCNE-methylsubstituted benzene complexes: Is charge transfer important?
    Author infoOndrej Kyseľ ...[et al.]
    Author Kyseľ Ondrej 1937- (25%)
    Co-authors Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
    Mach Pavel (25%)
    Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
    Source document International Journal of Quantum Chemistry. Vol. 110, no. 9 (2010), pp. 1712-1728. - Hoboken : Wiley-Blackwell, 2010
    Keywords komplexy metylbenzénu - TCNE   dipólový moment   polarizovateľnosť   methylbenzene-TCNE complexes   dipole moment   polarizability   MP2 metóda   infračervené spektrum   IR spectra  
    LanguageEnglish
    CountryUnited States of America
    systematics 54
    Public work category ADC
    No. of Archival Copy15634
    Repercussion category BIEDERMANN, Frank - SCHERMAN, Oren A. Cucurbit[8]uril mediated donor-acceptor ternary complexes : a model system for studying charge-transfer interactions. In Journal of physical chemistry B. ISSN 1520-6106, 2012, vol. 116, no. 9, pp. 2842-2849.
    KUCHENBECKER, Dennis - JANSEN, Georg. Intermolecular interactions in weak donor-acceptor complexes from symmetry-adapted perturbation and coupled-cluster theory : tetracyanoethylene-benzene and tetracyanoethylene-p-Xylene. In Chemphyschem. ISSN 1439-4235, 2012, vol. 13, no. 11, pp. 2769-2776.
    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.
    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.
    MONEZI, Natalia M. - ANDO, Romulo A. Spectroscopic characterization of charge transfer complexes of TCNE with aromatic amines the first step of tricyanovinylation reaction. In Journal of the Brazilian chemical society. ISSN 0103-5053, 2017, vol. 28, no. 9, pp. 1665-1672.
    DOMINGO, Luis R. - RIOS-GUTIERREZ, Mar. On the nature of organic electron density transfer complexes within molecular electron density theory. In Organic and biomolecular chemistry. ISSN 1477-0520, 2019, vol. 17, no. 26, pp. 6478-6488.
    PETRUSHENKO, I. K. - PETRUSHENKO, K. B. Absorption properties of a BODIPY-curved graphene nanoflake system : a theoretical investigation. In Spectrochimica acta. Part A : molecular and biomolecular spectroscopy. ISSN 1386-1425, 2020, vol. 224, art. no. 117465, pp. 1-14.
    Catal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Databasexpca - PUBLIKAČNÁ ČINNOSŤ
    ReferencesPERIODIKÁ-Súborný záznam periodika
    unrecognised

    unrecognised

  5. 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



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