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Title Benchmark CCSD(T) and DFT study of binding energies in Be7-12: in search of reliable DFT functional for beryllium clusters; Author Labanc Daniel Co-authors Šulka Martin Pitoňák Michal SAVCSC - Centrum spoločných činností SAV Černušák Ivan Urban Miroslav Neogrady Pavel Source document Molecular Physics. Vol. 116, iss. 10 (2018), p. 1259-1274 Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2018 DOI 10.1080/00268976.2017.1420259 
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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 Melicherčík Miroslav Co-authors Suchá Denisa Neogrády Pavel Pitoňák Michal SAVCSC - Centrum spoločných činností SAV Source document International Journal of Quantum Chemistry. Vol. 118, iss. 14 (2018), art. no. e25580 Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2018 DOI 10.1002/qua.25580 article
Title Coupled cluster and Moller-Plesset perturbation theory caltulations of noncovalent intermolecular interactions using density fitting with auxiliary basis sets from Cholesky decompositions Author Bostrom R. Co-authors Pitoňák Michal SAVVS - Výpočtové stredisko SAV Aquilante F. Neogrady P. Pedersen T. B. Lindh R. Source document Journal of Chemical Theory and Computation. Vol. 8, no. 6 (2012), p. 1921-1928 Category ADCA - Scientific papers in foreign journals registered in Current Contents Connect with IF (impacted) Category of document (from 2022) V3 - Vedecký výstup publikačnej činnosti z časopisu Type of document článok Year 2012 DOI 10.1021/ct3003018 article