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Title Off-center Gaussian functions: Applications toward larger basis sets, post-second-order correlation treatment, and truncated virtual orbital space in investigations of noncovalent interactions Author info Miroslav Melicherčík ... [ et al.] Author Melicherčík Miroslav 1984- (25%) UMBFP05 - Katedra informatiky
Co-authors Suchá Denisa 1990- (25%)
Neogrády Pavel (25%)
Pitoňák Michal (25%)
Source document International Journal of Quantum Chemistry. Vol. 118, no. 14 (2018), pp. 1-14. - Hoboken : Wiley-Blackwell, 2018 Keywords metódy spriahnutých klastrov atómové orbitály - atomic orbitals nekovalentné interakcie mriežka mimocentrovaných bázových funkcií Language English Country United States of America systematics 54 URL Link na plný text Public work category ADC No. of Archival Copy 43103 Repercussion category KODRYCKA, Monika - PATKOWSKI, Konrad. Platinum, gold, and silver standards of intermolecular interaction energy calculations. In Journal of chemical physics. ISSN 0021-9606, 2019, vol. 151, no. 7, pp.
LEHTOLA, Susi. A review on non-relativistic, fully numerical electronic structure calculations on atoms and diatomic molecules. In International journal of quantum chemistry. ISSN 0020-7608, 2019, vol. 119, no. 19, pp. 1-31.
LEHTOLA, Susi. Curing basis set overcompleteness with pivoted Cholesky decompositions. In Journal of chemical physics. ISSN 0021-9606, 2019, vol. 151, no. 24.
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 Štúdium izotopových efektov na vibrácie malých molekúl Par.title The study of isotope effects on vibration of small molecules Author info Denisa Suchá, Miroslav Medveď Author Suchá Denisa 1990- (50%) UMBFP08 - Katedra chémie
Co-authors Medveď Miroslav 1971- (50%) UMBFP08 - Katedra chémie
Source document Acta Universitatis Matthiae Belii, 15 : séria chémia. CD-ROM, s. 58-70. - Banská Bystrica : Univerzita Mateja Bela, Fakulta prírodných vied, 2014 / Tölgyessy Juraj ; Melicherčík Milan 1948-2015 Keywords vibračné spektrá izotopové efekty IR spectra spektroskopia - spectroscopy Ramanova spektrometria (spektroskopia) - Raman spectrometry (spectroscopy) IR spektroskopia Language Slovak Country Slovak Republic systematics 54 Public work category AED No. of Archival Copy 31333 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ 
article
Title Isotopic effect on vibrational spectra of carbonate anion Par.title Izotopové efekty na vibračné spektrum uhličitanového aniónu Author info Denisa Suchá, Miroslav Medveď Author Suchá Denisa 1990- (50%) UMBFP08 - Katedra chémie
Co-authors Medveď Miroslav 1971- (50%) UMBFP08 - Katedra chémie
Source document Advances in computational spectroscopy (CODECS 2014) : workshop CMST Action CM1002-CODECS, October 23-27, 2014 Bratislava : book of abstracts. S. 123. - Banská Bystrica : Matej Bel University, 2014 / Medveď Miroslav 1971- ; Advances in computational spectroscopy (CODECS 2014) workshop Keywords isotopic effects vibrational spectra carbonate anions Language English Country Slovak Republic systematics 54 Public work category AFH No. of Archival Copy 32026 Catal.org. BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici Database xpca - PUBLIKAČNÁ ČINNOSŤ unrecognised