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Title Approximated MP2 for extended systems with helical symmetry Author info Matej Veis, Miroslva Melicherčík, Jozef Noga Author Veis Matej (40%)
Co-authors Melicherčík Miroslav 1984- (20%) UMBFP05 - Katedra informatiky
Noga Jozef (20%)
Source document 16th International congress of quantum chemistry. P. [1]. - Menton : [s. n.], 2018 ; The international congress of quantum chemistry medzinárodný kongres Keywords MP2 metóda špirálová symetria - helical symmetry Form. Descr. abstrakty - abstracts Language English Country France Public work category BFA No. of Archival Copy 47551 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 
article
Title Teoretické štúdium nelineárnych optických vlastností kyanoboránu Author info Miroslav Medveď, Šimon Budzák Author Medveď Miroslav 1971- (50%) UMBFP08 - Katedra chémie
Co-authors Budzák Šimon 1982- (50%) UMBFP08 - Katedra chémie
Source document Acta Universitatis Matthiae Belii : séria chémia, 11. S. 40-47. - Banská Bystrica : Univerzita Mateja Bela, Fakulta prírodných vied, 2010 / Kyseľ Ondrej 1937- ; Silný Peter ; Samešová Dagmar ; Šeršeň František Keywords anorganické konjugované oligoméry kyanoborán nelineárne optické vlastnosti MP2 metóda Language Slovak Country Slovak Republic systematics 546 Public work category AED No. of Archival Copy 27318 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 
unrecognised
Title MP2 and DFT study of IR spectra of TCNE-methylsubstituted benzene complexes: Is charge transfer important? Author info Ondrej 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 Language English Country United States of America systematics 54 Public work category ADC No. of Archival Copy 15634 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 Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
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 unrecognised