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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 
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Title Structural and electrical properties of geopolymer materials based on different precursors Subtitle (kaolin, bentonite and diatomite) Author info Ljiljana Kljajević ... [et al.] Author Kljajević Ljiljana (40%)
Co-authors Melichová Zuzana 1966- (35%) UMBFP08 - Katedra chémie
Stojmenović Marija (5%)
Todorović Bratislav (5%)
Pavlović Vladimir B. (5%)
Čitaković Nada (5%)
Nenadović Snežana (5%)
Source document Macedonian Journal of Chemistry and Chemical Engineering. Vol. 38, no. 2 (2019), pp. 283-292. - Skopje : Sojuz na hemičarite i tehnolozite na Makedonija, 2019 Keywords chémia - chemistry elektrická vodivosť elektrické vlastnosti horniny - rocks chemické vlastnosti látok Form. Descr. články - journal articles Language English Country RS Annotation Geopolymers (GP) were successfully synthesized from metabentonite (MB), metadiatomite (MD) and metakaolinite (MK). Characterization of their phase structure and microstructure was performed by XRD, FTIR, SEM/EDX methods. A SEM micrograph of GPMD shows a homogeneous surface with some longitudinal cavities in the gel, and it is significantly different from the micrographs of the other two geopolymer samples, GPMB and GPMK. A considerable amount of unreacted particles, as well as the presence of pores in the geopolymer matrix of GPMK and GPMD, indicate an incomplete reaction in the system. Aluminosilicate inorganic polymers, geopolymers, are quasi solid electrolytes which possess a high electrical conductivity at room temperature in relation to materials of similar chemical composition. The highest conductivity was found for the sample obtained from GPMK, amounting to 2.14 x 10(-2) Omega(-1)cm(-1) at 700 degrees C. The corresponding activation energies of conductivity for this sample amou Public work category ADM No. of Archival Copy 47145 Repercussion category MIERZWIŃSKI, Dariusz - WALTER, Janusz - WANAT, Dominika. Possibilities of checking water content in porous geopolymer materials using impedance spectroscopy methods. In Materials. ISSN 1996-1944, 2023, vol. 16, no. 14, pp. 1-17.
Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika unrecognised
File name Downloaded Size Comment 47145 75 949.5 KB Title Can density functional theory be trusted for high-order electric properties? The case of hydrogen-bonded complexes Author info Robert Zaleśny ... [et al.] Author Zaleśny Robert 1977- (40%)
Co-authors Medveď Miroslav 1971- (15%) UMBFP08 - Katedra chémie
Sitkiewicz Sebastian P. (15%)
Matito Eduard (15%)
Lius Josep M. (15%)
Source document Journal of Chemical Theory and Computation. Vol. 15, no. 6 (2019), pp. 3570-3579. - Washington : The American Chemical Society, 2019 Keywords chémia - chemistry chemické vlastnosti - chemical properties chemické procesy vodík elektrické vlastnosti 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 47158 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ References PERIODIKÁ-Súborný záznam periodika 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 Direct and indirect effects of dispersion interactions on the electric properties of weakly bound complexes Author info Miroslav Medveď ... [et al.] Author Medveď Miroslav 1971- (25%) UMBFP08 - Katedra chémie
Co-authors Budzák Šimon 1982- (25%) UMBFP08 - Katedra chémie
Laurent Adéle D. (25%)
Jacquemin Denis (25%)
Source document The Journal of Physical Chemistry A. Vol. 119, no. 12 (2015), pp. 3112-3124. - Washington : The American Chemical Society, 2015 Keywords elektrické vlastnosti disperzné sily teória funkcionálu hustoty electric properties dispersion forces density functional theory Language English Country United States of America systematics 544 Public work category ADC No. of Archival Copy 34747 Repercussion category CALBO, Joaquin - ORTI, Enrique - SANCHO-GARCIA, Juan C. - ARAGO, Juan. The nonlocal correlation density functional VV10 : a successful attempt to accurately capture noncovalent interactions. In Annual reports in computational chemistry. Amsterdam : Elsevier science BV, 2015. Vol. 11. ISBN 978-0-444-63682-9, pp. 37-102.
YANG, Xin - YANG, Yongsheng - XUE, Ying. Computational mechanism study of catalyst-dependent competitive 1,2-C> C,O> C, andN> C migrations from beta-methylene-beta-silyloxy-beta-amido-alpha-diazoacetate : insight into the origins of chemoselectivity. In ACS catalysis. ISSN 2155-5435, 2016, vol. 6, no. 1, pp. 162-175.
HATUA, Kaushik - MONDAL, Avijit - NANDI, Prasanta K. Static second hyperpolarizability of inverse sandwich compounds (M-1-C5H5-M-2) of alkali (M-1 = Li, Na, K) and alkaline earth metals (M-2 = Be, Mg, Ca). In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 19, pp. 13331-13339.
KOZLOWSKA, Justyna - SCHWILK, Max - ROZTOCZYNSKA, Agnieszka - BARTKOWIAK, Wojciech. Assessment of DFT for endohedral complexes' dipole moment : PNO-LCCSD-F12 as a reference method. In Physical chemistry chemical physics. ISSN 1463-9076, 2018, vol. 20, no. 46, pp. 29374-29388.
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
Title Výpočty vibračných korekcií elektrických vlastností dvojatómových molekúl Author info Miroslav Medveď Author Medveď Miroslav 1971- UMBFP08 - Katedra chémie
Source document Acta Universitatis Matthiae Belii. Séria chémia. No 3. S. 68-73. - Banská Bystrica : Univerzita Mateja Bela Note Res. angl., slov., bibliogr. odkazy: s. 72 Keywords elektrické vlastnosti pohyb vibračný poruchová metóda systematics 54 Public work category ADF Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised
Title Electric Properties of the Oxygen Atom Author info Miroslav Medveď Title Subtitle Translation : Elektrické vlastnosti atómu kyslíka Author Medveď Miroslav 1971- UMBFP08 - Katedra chémie
Source document Acta Universitatis Matthiae Belii, Č. 2 - Séria prírodovedná, odbor chémia. S. 47-53. - Banská Bystrica : Univerzita Mateja Bela, Fakulta prírodných vied, 1998 / Melicherčík Milan 1948-2015 ; Tölgyessy Juraj Keywords chémia - chemistry kyslík elektrické vlastnosti kvadrupólový moment Language English Country Slovak Republic systematics 546 Public work category ADF Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised