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Benchmark calculations of some molecular properties of O2, CN and other selected small radicals using the ROHF-CCSD(T) method
Názov Benchmark calculations of some molecular properties of O2, CN and other selected small radicals using the ROHF-CCSD(T) method Súbež.n. Porovnávacie výpočty niektorých molekulových vlastností O2, CN a niekoľkých ďalších malých radikálov použitím ROHF-CCSD(T) metódy Aut.údaje Pavel Neogrády, Miroslav Medveď, Ivan Černušák, Miroslav Urban Spoluautori Neogrády Pavel (25%%)
Ďalší autori Medveď Miroslav 1971- (25%%) UMBFP08 - Katedra chémie
Černušák Ivan (Autor) (25%%)
Urban Miroslav (Autor) (25%%)
Zdroj.dok. Molecular Physics. Vol. 100, no. 5 (2002), pp. 541-560. - Abingdon : Taylor & Francis Group, 2002 Kľúč.slová radikály CCSD(T) metóda elektrónová afinita polarizovateľnosť radicals CCSD(T) method electron affinities polarizability Jazyk dok. angličtina Systematika 54 Kategória publikačnej činnosti ADC Číslo archívnej kópie 7012 Kategória ohlasu JIANG, Wanyi - DEYONKER, Nathan J. - WILSON, Angela K. Multireference character for 3d transition-metal-containing molecules. In Journal of chemical theory and computation. ISSN 1549-9618, 2012, vol. 8, no. 2, pp. 460-468.
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