Search results
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 
article
Title Partitioning of interaction-induced nonlinear optical properties of molecular complexes. II. Halogen-bonded systems Author info Miroslav Medveď, Alex Iglesias-Reguant ... [et al.] Author Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Co-authors Iglesias-Reguant Alex (10%)
Reis Heribert (10%)
Góra Robert W. (10%)
Luis Josep M. (15%)
Zaleśny Robert 1977- (30%)
Source document Physical Chemistry Chemical Physics. Vol. 22, no. 7 (2020), pp. 4225-4234. - Londýn : The Royal Society of Chemistry (RSC), 2020 Keywords variation partitioning nonlinear optical properties molecular properties Form. Descr. články - journal articles Language English Country Great Britian URL Link na zdrojový dokument Public work category ADC No. of Archival Copy 49595 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika article
Title Accurate nonlinear optical properties of solvated para-nitroaniline predicted by an electrostatic discrete local field approach Author info Tomáš Hrivnák, Heribert Reis ... [et al.] Author Hrivnák Tomáš (35%)
Co-authors Reis Heribert (25%)
Neogrády Pavel (10%)
Zaleśny Robert 1977- (10%)
Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Source document The Journal of Physical Chemistry B. Vol. 124, no 45 (2020), pp. 10195-10209. - Washington : The American Chemical Society, 2020 Keywords nonlinear optical properties electrostatic field new approaches Form. Descr. články - journal articles Language English Country United States of America URL Link na plný text Public work category ADC No. of Archival Copy 48874 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika article
Title New data on chemical composition of Au-Ag-S system minerals in precious and base metal deposit Hodruša-Hámre Author info Stanislav Jeleň, Sergiy Kurylo ... [et al.] Author Jeleň Stanislav 1959- (35%) UMBFP01 - Katedra geografie a geológie
Co-authors Kurylo Sergij (15%)
Kovalenker Vladimir Aleksandrovič (15%)
Luptáková Jarmila (15%)
Polák Ľuboš 1989- (10%) UMBFP01 - Katedra geografie a geológie
Durajová Renáta (10%)
Source document 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 Keywords epithermal mineralization nonlinear optical properties chemical composition Headings Geogr. Hodruša - Hámre Slovensko Language English Country Slovak Republic systematics 55 Public work category AFH No. of Archival Copy 45166 Repercussion category 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.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 
unrecognised
Title Partitioning of interaction-induced nonlinear optical properties of molecular complexes. I. Hydrogen-bonded systems Author info Robert Zaleśny, Miroslav Medveď ... [et al.] Author Zaleśny Robert 1977- (40%)
Co-authors Medveď Miroslav 1971- (15%) UMBFP08 - Katedra chémie
Góra Robert W. (15%)
Reis Heribert (15%)
Luis Josep M. (15%)
Source document Physical Chemistry Chemical Physics. Vol. 20, no. 30 (2018), pp. 19841-19849. - Cambridge : The Royal Society of Chemistry (RSC), 2018 Keywords nonlinear optical properties kvantová chémia - quantum chemistry Form. Descr. články - journal articles Language English Country Great Britian systematics 54 URL Link na zdrojový dokument Public work category ADC No. of Archival Copy 44375 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Electronic and vibrational NLO properties of charge-transfer NMB-TCNE complexes Author info Miroslav Medveď ... [et al.] Author Medveď Miroslav 1971- (30%) UMBFP08 - Katedra chémie
Co-authors Reis Heribert (30%)
Budzák Šimon 1982- (10%) UMBFP08 - Katedra chémie
Zaleśny Robert 1977- (20%) UMBFP08 - Katedra chémie
Kyseľ Ondrej 1937- (10%) UMBFP08 - Katedra chémie
Source document 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 Keywords nelineárne optické vlastnosti vibračné efekty komplexy s prenosom náboja nonlinear optical properties vibrational effects charge transfer complexes Language English Country Slovak Republic systematics 535 Public work category AFH No. of Archival Copy 34768 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Relation between nonlinear optical properties of push-pull molecules and metric of charge transfer excitations Author info Nanna Holmgaard List ... [et al.] Author List Holmgaard Nanna (25%)
Co-authors Zaleśny Robert 1977- (15%) UMBFP08 - Katedra chémie
Murugan N. Arul (15%)
Kongsted Jacob (15%)
Bartkowiak Wojciech (15%)
Ågren Hans (15%)
Source document Journal of Chemical Theory and Computation. Vol. 11, no. 9 (2015), pp. 4182-4188. - Washington : The American Chemical Society, 2015 Keywords nelineárne optické vlastnosti excitácia s prenosom náboja nonlinear optical properties charge transfer excitations Language English Country Switzerland systematics 544 Public work category ADC No. of Archival Copy 34756 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Tuning the NLO properties of polymethineimine chains by chemical substitution Author info Miroslav Medveď, Denis Jacquemin Author Medveď Miroslav 1971- (60%) UMBFP08 - Katedra chémie
Co-authors Jacquemin Denis (40%)
Source document Chemical Physics. Vol. 415 (2013), pp. 196-206. - Amsterdam : Elsevier B.V., 2013 Keywords nonlinear optical properties polymethineimine derivatives electron delocalization unit cell asymmetry electron correlation Language English Country Netherlands systematics 51 Public work category ADC No. of Archival Copy 26476 Repercussion category 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.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
Title Substitutional effects on the structure and properties of polzmethineimine derivatives Author info Miroslav Medveď, Denis Jacquemin Author Medveď Miroslav 1971- (80%) UMBFP08 - Katedra chémie
Co-authors Jacquemin Denis (20%)
Source document 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 Keywords polymethineimine nonlinear optical properties MP2 and DFT methods Language English Country Austria systematics 54 Public work category AFG No. of Archival Copy 23338 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Static NLO responses of fluorinated polyacetylene chains evaluated with long-range corrected density functionals Author info Miroslav Medveď, Šimon Budzák, Tadeusz Pluta Author Medveď Miroslav 1971- (40%) UMBFP08 - Katedra chémie
Co-authors Budzák Šimon 1982- (30%) UMBFP08 - Katedra chémie
Pluta Tadeusz (30%)
Source document Chemical physics letters. Vol. 515, no. 1-3 (2011), pp. 78-84. - Amsterdam : Elsevier B.V., 2011 Keywords nelineárne optické vlastnosti oligoméry elektrónová delokalizácia asymetria monomérnej jednotky elektrónová korelácia nonlinear optical properties oligomers electron delocalization unit cell asymmetry electron correlation Language English Country Netherlands systematics 54 535 Public work category ADC No. of Archival Copy 19744 Repercussion category 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.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised