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Title Conformational behavior and optical properties of a fluorophore dimer as a model of luminescent centers in carbon dots Author info Farhan Siddique, Michal Langer ... [et al.] Author Siddique Farhan (12,50%)
Co-authors Langer Michal (12,50%)
Paloncýová Markéta (12,50%)
Medveď Miroslav 1971- (12,50%) UMBFP08 - Katedra chémie
Otyepka Michal (12,50%)
Nachtigallová Dana (12,50%)
Lischka Hans (12,50%)
Aquino Adélia J. A. (12,50%)
Source document The Journal of Physical Chemistry C. Vol. 124, no. 26 (2020), pp. 14327-14337. - Washington : The American Chemical Society, 2020 Keywords behavior nonlinear optical properties carbon dots Form. Descr. články - journal articles Language English Country United States of America URL Link na zdrojový dokument Public work category ADC No. of Archival Copy 49596 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika Názov Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems Aut.údaje Miroslav Medveď, Alex Iglesias-Reguant ... [et al.] Autor Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Spoluautori Iglesias-Reguant Alex (10%)
Reis Heribert (10%)
Góra Robert W. (10%)
Luis Josep M. (15%)
Zaleśny Robert 1977- (30%)
Zdroj.dok. Physical Chemistry Chemical Physics. Vol. 22, no. 7 (2020), pp. 4225-4234. - Londýn : The Royal Society of Chemistry (RSC), 2020 Kľúč.slová variation partitioning nonlinear optical properties molecular properties Form.deskr. články - journal articles Jazyk dok. angličtina Krajina Veľká Británia URL Link na zdrojový dokument Kategória publikačnej činnosti ADC Číslo archívnej kópie 49595 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika Názov Accurate nonlinear optical properties of solvated para-nitroaniline predicted by an electrostatic discrete local field approach Aut.údaje Tomáš Hrivnák, Heribert Reis ... [et al.] Autor Hrivnák Tomáš (35%)
Spoluautori Reis Heribert (25%)
Neogrády Pavel (10%)
Zaleśny Robert 1977- (10%)
Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Zdroj.dok. The Journal of Physical Chemistry B. Vol. 124, no 45 (2020), pp. 10195-10209. - Washington : The American Chemical Society, 2020 Kľúč.slová nonlinear optical properties electrostatic field new approaches Form.deskr. články - journal articles Jazyk dok. angličtina Krajina Spojené štáty URL Link na plný text Kategória publikačnej činnosti ADC Číslo archívnej kópie 48874 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika Názov Partitioning of interaction-induced nonlinear optical properties of molecular complexes. I. Hydrogen-bonded systems Aut.údaje Robert Zaleśny, Miroslav Medveď ... [et al.] Autor Zaleśny Robert 1977- (40%)
Spoluautori Medveď Miroslav 1971- (15%) UMBFP08 - Katedra chémie
Góra Robert W. (15%)
Reis Heribert (15%)
Luis Josep M. (15%)
Zdroj.dok. Physical Chemistry Chemical Physics. Vol. 20, no. 30 (2018), pp. 19841-19849. - Cambridge : The Royal Society of Chemistry (RSC), 2018 Kľúč.slová nonlinear optical properties kvantová chémia - quantum chemistry Form.deskr. články - journal articles Jazyk dok. angličtina Krajina Veľká Británia Systematika 54 URL Link na zdrojový dokument Kategória publikačnej činnosti ADC Číslo archívnej kópie 44375 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika Názov New data on chemical composition of Au-Ag-S system minerals in precious and base metal deposit Hodruša-Hámre Aut.údaje Stanislav Jeleň, Sergiy Kurylo ... [et al.] Autor Jeleň Stanislav 1959- (35%) UMBFP01 - Katedra geografie a geológie
Spoluautori Kurylo Sergij (15%)
Kovalenker Vladimir Aleksandrovič (15%)
Luptáková Jarmila (15%)
Polák Ľuboš 1989- (10%) UMBFP01 - Katedra geografie a geológie
Durajová Renáta (10%)
Zdroj.dok. Book of abstracts : joint 5th Central-European mineralogical conference and 7th mineral sciences in the Carpathians conference, Banská Štiavnica, 26.-30.06.2018. Pp. 39. - Bratislava : Univerzita Komenského v Bratislave, 2018 ; 5th Central-European mineralogical conference medzinárodná konferencia ; 7th mineral sciences in the Carpathians conference medzinárodná konferencia Kľúč.slová epithermal mineralization nonlinear optical properties chemical composition Heslá geogr. Hodruša - Hámre Slovensko Jazyk dok. angličtina Krajina Slovenská republika Systematika 55 Kategória publikačnej činnosti AFH Číslo archívnej kópie 45166 Kategória ohlasu CHOVAN, Martin - KUBAČ, Alexander - MIKUŠ, Tomáš - ŽITŇAN, Peter - PRCÚCH, Ján. Au-Ag tellurides and sulphosalts from epithermal Au-Ag-Pb-Zn-Cu deposit Banská Hodruša at the Rozália mine (Slovakia). In Acta geologica Slovaca. ISSN 1338-0044, 2019, vol. 11, no. 2, pp. 43-62.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Názov Electronic and vibrational NLO properties of charge-transfer NMB-TCNE complexes Aut.údaje Miroslav Medveď ... [et al.] Autor Medveď Miroslav 1971- (30%) UMBFP08 - Katedra chémie
Spoluautori Reis Heribert (30%)
Budzák Šimon 1982- (10%) UMBFP08 - Katedra chémie
Zaleśny Robert 1977- (20%) UMBFP08 - Katedra chémie
Kyseľ Ondrej 1937- (10%) UMBFP08 - Katedra chémie
Zdroj.dok. JCS - 2015 : 6th JCS international symposium on theoretical chemistry, Smolenice, October 11th-15th, 2015. S. 29. - Bratislava : Slovak Academy of Sciences, 2015 ; JCS international symposium on theoretical chemistry medzinárodné sympózium Kľúč.slová nelineárne optické vlastnosti vibračné efekty komplexy s prenosom náboja nonlinear optical properties vibrational effects charge transfer complexes Jazyk dok. angličtina Krajina Slovenská republika Systematika 535 Kategória publikačnej činnosti AFH Číslo archívnej kópie 34768 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Názov Relation between nonlinear optical properties of push-pull molecules and metric of charge transfer excitations Aut.údaje Nanna Holmgaard List ... [et al.] Autor List Holmgaard Nanna (25%)
Spoluautori Zaleśny Robert 1977- (15%) UMBFP08 - Katedra chémie
Murugan N. Arul (15%)
Kongsted Jacob (15%)
Bartkowiak Wojciech (15%)
Ågren Hans (15%)
Zdroj.dok. Journal of Chemical Theory and Computation. Vol. 11, no. 9 (2015), pp. 4182-4188. - Washington : The American Chemical Society, 2015 Kľúč.slová nelineárne optické vlastnosti excitácia s prenosom náboja nonlinear optical properties charge transfer excitations Jazyk dok. angličtina Krajina Švajčiarsko Systematika 544 Kategória publikačnej činnosti ADC Číslo archívnej kópie 34756 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika Názov Tuning the NLO properties of polymethineimine chains by chemical substitution Aut.údaje Miroslav Medveď, Denis Jacquemin Autor Medveď Miroslav 1971- (60%) UMBFP08 - Katedra chémie
Spoluautori Jacquemin Denis (40%)
Zdroj.dok. Chemical Physics. Vol. 415 (2013), pp. 196-206. - Amsterdam : Elsevier B.V., 2013 Kľúč.slová nonlinear optical properties polymethineimine derivatives electron delocalization unit cell asymmetry electron correlation Jazyk dok. angličtina Krajina Holandsko Systematika 51 Kategória publikačnej činnosti ADC Číslo archívnej kópie 26476 Kategória ohlasu ALPARONE, Andrea. Second harmonic generation and electro-optical Pockels effect of 1-and 3-nitro-6-azabenzo[a]pyrene N-oxide isomers : a Hartree-Fock and Coulomb-attenuating density functional theory investigation. In Journal of chemical sciences. ISSN 0974-3626, 2014, vol. 126, no. 3, pp. 701-710.
BURES, Filip. Fundamental aspects of property tuning in push-pull molecules. In RSC advances. ISSN 2046-2069, 2014, vol. 4, no. 102, pp. 58826-58851.
ALPARONE, Andrea. Theoretical study on the static and dynamic first-order hyperpolarisabilities of adenine tautomers. In Molecular physics. ISSN 0026-8976, 2014, vol. 112, no. 13, pp. 1755-1760.
LI, Fengyun - SHI, Weilin - ZHOU, Dong - LIU, Ruliang - XIA, Yue - LI, Baohua - CHEN, Baohua - CAI, Qiang. Synthesis and characterization of a cyclic polyacetonitril oligomer and its application on solid polymer electrolyte. In International journal of electrochemical science. ISSN 1452-3981, 2015, vol. 10, no. 7, pp. 5561-5575.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika Názov Substitutional effects on the structure and properties of polzmethineimine derivatives Aut.údaje Miroslav Medveď, Denis Jacquemin Autor Medveď Miroslav 1971- (80%) UMBFP08 - Katedra chémie
Spoluautori Jacquemin Denis (20%)
Zdroj.dok. 11-th Central European Symposium on Theoretical Chemistry : September 2 - 5, 2012 Mariapharr, Austria : conference book. S. [1]. - Graz : University of Graz, 2012 ; 11-th Central European Symposium on Theoretical Chemistry European symposium Kľúč.slová polymethineimine nonlinear optical properties MP2 and DFT methods Jazyk dok. angličtina Krajina Rakúsko Systematika 54 Kategória publikačnej činnosti AFG Číslo archívnej kópie 23338 Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Názov Static NLO responses of fluorinated polyacetylene chains evaluated with long-range corrected density functionals Aut.údaje Miroslav Medveď, Šimon Budzák, Tadeusz Pluta Autor Medveď Miroslav 1971- (40%) UMBFP08 - Katedra chémie
Spoluautori Budzák Šimon 1982- (30%) UMBFP08 - Katedra chémie
Pluta Tadeusz (30%)
Zdroj.dok. Chemical physics letters. Vol. 515, no. 1-3 (2011), pp. 78-84. - Amsterdam : Elsevier B.V., 2011 Kľúč.slová nelineárne optické vlastnosti oligoméry elektrónová delokalizácia asymetria monomérnej jednotky elektrónová korelácia nonlinear optical properties oligomers electron delocalization unit cell asymmetry electron correlation Jazyk dok. angličtina Krajina Holandsko Systematika 54 535 Kategória publikačnej činnosti ADC Číslo archívnej kópie 19744 Kategória ohlasu BARANOWSKA-LACZKOWSKA, Angelika - BARTKOWIAK, Wojciech - GORA, Robert W. et al. On the performance of long-range-corrected density functional theory and reduced-size polarized LPol-n basis sets in computations of electric dipole (hyper)polarizabilities ofconjugated molecules. In Journal of computational chemistry. ISSN 0192-8651, 2013, vol. 34, no. 10, pp. 819-826.
ALPARONE, Andrea. Response electric properties of alpha-helix polyglycines : a CAM-B3LYP DFT investigation. In Chemical physics letters. ISSN 0009-2614, 2013, vol. 563, pp. 88-92.
TOY, Mehmet - TANAK, Hasan. DFT quantum chemical studies on 1-[N-(2-pyridyl)aminomethylidene]-2(1H)-napphtalenone. In Journal of theoretical & computational chemistry. ISSN 0219-6336, 2012, vol. 11, no. 4, pp. 745-762.
ALPARONE, Andrea. Linear and nonlinear optical properties of nucleic acid bases. In Chemical physics. ISSN 0301-0104, 2013, vol. 410, pp. 90-98.
BULIK, I.W. - ZALEŚNY, R. - BARTKOWIAK, W. et al. Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities. In Journal of computational chemistry. ISSN 0192-8651, 2013, vol. 34, no. 20, pp. 1775-1784.
ALPARONE, Andrea. Evolution of electric dipole (Hyper)polarizabilities of β-strand polyglycine single chains : an Ab initio and DFT theoretical study. In Journal of physical chemistry A. ISSN 1089-5639, 2013, vol. 117, no. 24, pp. 5184-5194.
TANAK, Hasan - TOY, Mehmet. Molecular structure, vibrational spectra, NLO and MEP analysis of bis[2-hydroxy-kappa O-N-(2-pyridyl)-1-naphthaldiminato-kappa N]zinc(II). In Spectrochimica acta part A-molecular and biomolecular sperctroscopy. ISSN 1386-1425, 2013, vol. 115, pp. 145-153.
BEDNARSKA, Joanna - ROZTOCZYNSKA, Agnieszka - BARTKOWIAK, Wojciech - ZALESNY, Robert. Comparative assessment of density functionals for excited-state dipole moments. In Chemical physics letters. ISSN 0009-2614, 2013, vol. 584, pp. 58-62.
TANAK, Hasan - AGAR, Aysen Alaman - BUYUKGUNGOR, Orhan. Combined experimental and DFT computational studies on (E)-1-(5-nitrothiophen-2-yl)-N-[4-(trifluoromethyl)phenyl] methanimine. In Journal of molecular structure. ISSN 0022-2860, 2013, vol. 1048, pp. 41-50.
ALPARONE, Andrea. Second harmonic generation and electro-optical Pockels effect of 1-and 3-nitro-6-azabenzo[a]pyrene N-oxide isomers: A Hartree-Fock and Coulomb-attenuating density functional theory investigation. In Journal of chemical sciences. ISSN 0974-3626, 2014, vol. 126, no. 3, pp. 701-710.
VARGAS, Jorge - SPRINGBORG, Michael - KIRTMAN, Bernard. Electronic responses of long chains to electrostatic fields : Hartree-Fock vs. density-functional theory: A model study. In Journal of chemical physics. ISSN 0021-9606, 2014, vol. 140, no. 5, art. no. 054117.
ALPARONE, Andrea. Theoretical study on the static and dynamic first-order hyperpolarisabilities of adenine tautomers. In Molecular physics. ISSN 0026-8976, 2014, vol. 112, no. 13, pp. 1755-1760.
TANAK, Hasan. Molecular structure, spectroscopic (FT-IR and UV-Vis) and DFT quantum-chemical studies on 2-[(2,4-Dimethylphenyl)iminomethyl]-6-methylphenol. In Molecular physics. ISSN 0026-8976, 2014, vol. 112, no. 11, pp. 1553-1565.
ALPARONE, Andrea. Solvation effects on the static and dynamic first-order electronic and vibrational hyperpolarizabilities of uracil : a polarized continuum model investigation. In The scientific world journal. ISSN 1537-744X, 2013, art. no. 652124, pp. 1-7.
ALPARONE, Andrea. Static and dynamic electronic (hyper)polarizabilities of dimethylnaphthalene isomers : characterization of spatial contributions by density analysis. In The scientific world journal. ISSN 1537-744X, 2013, art. no. 832682, pp. 1-9.
LICARI, Giuseppe - BREVET, Pierre-Francois - VAUTHEY, Eric. Fluorescent DNA probes at liquid/liquid interfaces studied by surface second harmonic generation. In Physical chemistry chemical physics. ISSN 1463-9076, 2016, vol. 18, no. 4, pp. 2981-2992.
TSIPIS, Athanassios C. Interaction of elemental mercury with a diverse series of pi-organic substrates probed by computational methods : is mercury fixation possible? In ACS earth and space chemistry. ISSN 2472-3452, 2018, vol. 2, no. 5, special no., pp. 451-+.
KODIKARA, Mahesh S. - STRANGER, Robert - HUMPHREY, Mark G. Computational studies of the nonlinear optical properties of organometallic complexes. In Coordination chemistry reviews. ISSN 0010-8545, 2018, vol. 375, special no., pp. 389-409.
BULATOV, V. Yu - SMIRNOV, M. B. - SUKHOMLINOV, S. V. Modelling of dielectric properties of non-linear optic materials based on linear molecules. In Journal of physics : conference series : 21st Russian youth conference on physics of semiconductors and nanostructures, opto- and nanoelectronics (RYCPS 2019), St. Petersburg, 25th-29th November 2019. ISSN 1742-6588, 2020, vol. 1482, no. 1, pp. 1-5.
Katal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Báza dát xpca - PUBLIKAČNÁ ČINNOSŤ Odkazy PERIODIKÁ-Súborný záznam periodika