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Title A new computational tool for interpreting the infrared spectra of molecular complexes Author info Alexis Iglesias-Reguant ... [et al.] Author Iglesias-Reguant Alex (30%)
Co-authors Reis Heribert (10%)
Medveď Miroslav 1971- (10%) UMBFP08 - Katedra chémie
Luis Josep M. (25%)
Zalésny Robert (25%)
Source document Physical Chemistry Chemical Physics. Vol. 25, no. 16 (2023), pp. 11658-11664. - Londýn : The Royal Society of Chemistry (RSC), 2023 Keywords infračervená spektroskopia - infrared spectroscopy molekuly - molecules organická chémia - organic chemistry interakcie Form. Descr. články - journal articles Language English Country Great Britian URL Link na plný text Public work category ADC No. of Archival Copy 53378 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
article
Title Decoding the infrared spectra changes upon formation of molecular complexes: the case of halogen bonding in pyridine⋯perfluorohaloarene complexes Author info Alex Iglesias-Reguant ... [et al.] Author Iglesias-Reguant Alex (16,667%)
Co-authors Reis Heribert (16,667%)
Medveď Miroslav 1971- (16,666%) UMBFP08 - Katedra chémie
Ośmiałowski Borys (16,667%)
Zaleśny Robert 1977- (16,666%)
Luis Josep M. (16,667%)
Source document Physical Chemistry Chemical Physics. Vol. 25, no. 30 (2023), pp. 20173-20177. - Londýn : The Royal Society of Chemistry (RSC), 2023 Keywords infračervené spektrum molekulárne komplexy - molecular complexes chemické väzby Form. Descr. články - journal articles Language English Country Great Britian URL Link na plný text Public work category ADC No. of Archival Copy 53985 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 Electric properties of hydrated uracil: from micro- to macrohydration Author info Tomáš Hrivnák ... [et al.] Author Hrivnák Tomáš (30%)
Co-authors Budzák Šimon 1982- (15%) UMBFP08 - Katedra chémie
Reis Heribert (10%)
Zaleśny Robert 1977- (10%)
Carbonnière Philippe (15%)
Medveď Miroslav 1971- (20%) UMBFP08 - Katedra chémie
Source document Journal of Molecular Liquids. Vol. 275 (2019), pp. 338-346. - Amsterdam : Elsevier B.V., 2019 Keywords elektrické vlastnosti chemické zlúčeniny - chemical compounds kvantová chémia - quantum chemistry molekulárna dynamika interakcie Form. Descr. články - journal articles Language English Country Netherlands Public work category ADC No. of Archival Copy 47160 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 
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 NLO properties of pi-stacking EDA complexes: the role of anharmonicity Author info M. Medveď ... [et al.] Author Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Co-authors Reis Heribert (25%)
Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Zaleśny Robert 1977- (25%)
Source document Current trends in theoretical chemistry VII : [conference] Kraków, 4-8 September 2016. P. P59. - Kraków : Jagiellonian University, 2016 ; Current trends in theoretical chemistry medzinárodná konferencia Keywords NLO vlastnosti - NLO properties anharmonicita - anharmonicity EDA komplexy - EDA complexes Language English Country Poland systematics 54 Public work category AFG No. of Archival Copy 37637 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Solvent effects on molecular electric properties Author info Miroslav Medveď ... [et al.] Author Medveď Miroslav 1971- (40%) UMBFP08 - Katedra chémie
Co-authors Budzák Šimon 1982- (20%) UMBFP08 - Katedra chémie
Bartkowiak Wojciech (10%)
Reis Heribert (30%)
Source document Handbook of Computational Chemistry. Pp. 1-54 [4,20 AH]. - Dordrecht : Springer Netherlands, 2016 Keywords solvent effects electric properties implicit solvent models explicit solvent models solvatačné efekty elektrické vlastnosti vplyv rozpúšťadla implicitné modely Language English Country Netherlands systematics 543 URL http://link.springer.com/referenceworkentry/10.1007/978-94-007-6169-8_44-1 Public work category ABA No. of Archival Copy 37598 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Interaction induced NLO properties of charge transfer pi-stacking complexes Author info Miroslav Medveď ... [et al.] Author Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Co-authors Reis Heribert (25%)
Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Zaleśny Robert 1977- (25%)
Source document Multi-Responsive Chromophores : MRP conference, Nantés, April 25-28, 2016. P. 75. - Nantés : Université de Nantés, 2016 ; Multi-Responsive Chromophores konferencia Keywords NLO vlastnosti - NLO properties kvantová chémia - quantum chemistry Language English Country France systematics 54 Public work category BFA No. of Archival Copy 37650 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 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