Melicherčík, Miroslav, 1984- Off-center gaussian functions, an alternative atomic orbital basis set for accurate noncovalent interaction calculations of large systems / Miroslav Melicherčík ... [et al.]

In Journal of Chemical Theory and Computation. -- Washington : The American Chemical Society, 2013. -- ISSN 1549-9618. -- ISSN 1549-9626. -- Vol. 9, no. 12 (2013), pp. 5296-5304

1. funkcie bázy 2. algoritmy 3. nekovalentné interakcie 4. generovanie gridov 5. basis set functions 6. algorithms 7. noncovalent interactions

I. Pitoňák, Michal
II. Kellö, Vladimír
III. Hobza, Pavel
IV. Neogrády, Pavel
V. Journal of Chemical Theory and Computation. -- Vol. 9, no. 12 (2013), pp. 5296-5304

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