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Title Tailoring the optical and dynamic properties of iminothioindoxyl photoswitches through acidochromism Author info Miroslav Medved', Mark W. H. Hoorens ... [et al.] Author Medveď Miroslav 1971- (10%) UMBFP08 - Katedra chémie
Co-authors Hoorens Mark W. H. (10%)
Di Donato Mariangela (10%)
Laurent Adéle D. (10%)
Fan Jiayun (10%)
Taddei Maria (10%)
Hilbers Michiel (10%)
Feringa Ben L. (10%)
Buma Wybren Jan (10%)
Szymanski Wiktor (10%)
Source document Chemical Science. Vol. 12, no. 12 (2021), pp. 4588-4598. - Cambridge : Royal Society of Chemistry, 2021 Keywords nelineárne optické vlastnosti fotoprepínače - photoswitches Form. Descr. články - journal articles Language English Country Great Britian URL Link na plný text Public work category ADC No. of Archival Copy 51137 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
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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 
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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 Kvantovochemické výpočty elektrických vlastností oligomérov poly-fenylén-iminoboránu Par.title Quantum chemical calculations of electric properties of polyphenylene iminoborane oligomers Author info Veronika Sarvašová, Miroslav Medveď; rec. Milan Melicherčík, Iveta Nagyová, Jakub Demko Author Sarvašová Veronika (50%)
Co-authors Medveď Miroslav 1971- (50%) UMBFP08 - Katedra chémie
Another authors Melicherčík Milan 1948-2015 (Recenzent)
Nagyová Iveta 1960- (Recenzent)
Demko Jakub (Recenzent)
Source document Prírodovedec - ŠVOČ 2013 : zborník príspevkov zo ŠVOČ 2013 konanej 17. apríla 2013. CD-ROM, s. 92-98. - Banská Bystrica : Univerzita Mateja Bela, Fakulta prírodných vied, 2013 / Gondášová Anna 1983- ; Spišiak Ján 1953- ; Prírodovedec 2014 študentská vedecká konferencia Keywords nelineárne optické vlastnosti kvantovo-chemické výpočty kopolymerizácia Language Slovak Country Slovak Republic systematics 54 Public work category AFD No. of Archival Copy 26282 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ article
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
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 Nonlinear Optical Properties of Ferrocene- and Porphyrin - [60] Fullerene Dyads Par.title Nelineárne optické vlastnosti ferocén- a porfyrín- [60] fulerénových farbív Author info Evangelia Xenogiannopoulou ...[et al.] Author Xenogiannopoulou Evangelia (25%%)
Another authors Medveď Miroslav 1971- (Author) (20%%) UMBFP08 - Katedra chémie
Iliopoulos Kostas (Author) (5%%)
Couris Stelios (Author) (10%%)
Papadopoulos Manthos G. (Author) (5%%)
Bonifazi Davide (Author) (20%%)
Soambar Chloe (Author) (5%%)
Mateo-Alfonso Aurelio (Author) (5%%)
Prato Maurizio (Author) (5%%)
Source document ChemPhysChem. Vol. 8, no. 7 (2007), pp. 1056-1064. - Weinheim : Wiley-VCH, 2007 Keywords nelineárne optické vlastnosti D-A farbivá fullerény nonlinear optical properties D-A dyads fullerenes Language English Country Georgia systematics 54 Public work category ADC No. of Archival Copy 7016 Repercussion category KARAMANIS, Panaghiotis - POUCHAN, Claude. Fullerene-C-60 in contact with alkali metal clusters : prototype nano-objects of enhanced first hyperpolarizabilities. In Journal of physical chemistry C. ISSN 1932-7447, 2012, vol. 116, no. 21, pp. 11808-11819.
ZAATER, Sihem - BRAHIMI, Meziane - RAHMOUNI, Ali. Theoretical study of the structure and spectroscopic characterization of the new 1-ferrogermene in the gas phase. In Polyhedron. ISSN 0277-5387, 2012, vol. 31, no. 1, pp. 29-36.
MACKIEWICZ, Nicolas - BARK, Thomas - CAO, Bertrand et al. Fullerene-functionalized carbon nanotubes as improved optical limiting devices. In Carbon. ISSN 0008-6223, 2011, vol. 49, no. 12, pp. 3998-4003.
TANG, Shu-Wei - FENG, Jing-Dong - QIU, Yong-Qing et al. Thermochemical stabilities, electronic structures, and optical properties of C56X10 (X = H, F, and Cl) fullerene compounds. In Journal of computational chemistry. ISSN 0192-8651, 2011, vol. 32, no. 4, pp. 658-667.
KRASNIKOV, Sergey A. - BOZHKO, Sergey I. - RADICAN, Kevin et al. Self-assembly and ordering of C-60 on the WO2/W(110) surface. In Nano research. ISSN 1998-0124, 2011, vol. 4, no. 2, pp. 194-203.
WANG, Jin-Yun - LIN, Chen-Sheng - ZHANG, Min-Yi et al. Electronic structures, excited spectra, and nonlinear optical properties of N-methyl-fulleropyrrolidine-oligoaniline dyads NMPC60-AN(n)(n = 1-5) : quantum chemistry study. In Journal of theoretical & computational chemistry. ISSN 0219-6336, 2010, vol. 9, no. 5, pp. 903-917.
OUYANG, Xinhua - ZENG, Gongchang - ZENG, Heping - JI, Wei. Synthesis, third-order nonlinear absorption and refraction of fullerene dyads containing fluorene. In Journal of photochemistry and photobiology A : chemistry. ISSN 1010-6030, 2010, vol. 213, no. 1, pp. 7-13.
GIBBONS, Francis P. - MANICKAM, Mayandithevar - PREECE, Jon A. et al. Direct electron-beam writing of highly conductive wires in functionalized fullerene films. In Small. ISSN 1613-6810, 2009, vol. 5, no. 23, pp. 2750-2755.
OUYANG, Xinhua - ZENG, Heping - JI, Wei. Synthesis, strong two-photon absorption, and optical limiting properties of novel C-70/C-60 derivatives containing various carbazole units. In Journal of physical chemistry B. ISSN 1520-6106, 2009, vol. 113, no. 44, pp. 14565-14573.
SCUPPA, Stefano - ORIAN, Laura - DINI, Danilo et al. Nonlinear absorption properties and excited state dynamics of ferrocene. In Journal of physical chemistry A. ISSN 1089-5639, 2009, vol. 113, no. 33, pp. 9286-9294.
ZAKHAROVA, I.B. - ERMOLAEVA, G.M. - SHILOV, V.B. et al. Optical non-linearity in thin films and solutions of C-60-Zn(II) tetraphenylporphyrin complexes. In Journal of nanoelectronics and optoelectronics. ISSN 1555-130X, 2009, vol. 4, no. 2, pp. 252-256.
HERRERA, Antonio - MARTINEZ-ALVAREZ, Roberto - MARTIN, Nazario et al. Pyrimidine ortho-quinodimethanes. Part 2: Synthesis of new [60]fullerene adducts based on substituted pyrimidine derivatives and their H-1 NMR dynamic study. In Tetrahedron. ISSN 0040-4020, 2009, vol. 65, no. 29-30, pp. 5817-5823.
ZHANG, G. P. - SUN, X. - GEORGE, Thomas F. Nonlinear optical response and ultrafast dynamics in C-60. In Journal of physical chemistry A. ISSN 1089-5639, 2009, vol. 113, no. 7, pp. 1175-1188.
ZHANG, Yu-Mei - LIU, Peng - ZHANG, Hong-Li. Synthesis, spectroscopy and flower-like morphology of ferrocene schiff base. In Synthesis and reactivity in inorganic metal-organic and nano-metal chemistry. ISSN 1553-3174, 2009, vol. 39, no. 7, pp. 416-418.
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ZHANG, CaiRong - LIANG, WanZhen - CHEN, HongShan et al. Theoretical studies on the geometrical and electronic structures of N-methyle-3,4-fulleropyrrolidine. In Journal of molecular structure : theochem. ISSN 0166-1280, 2008, vol. 862, no. 1-3, pp. 98-104.
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Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika article