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Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy

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    0433396 - ÚOCHB 2015 RIV GB eng J - Journal Article
    Dubecký, M. - Derian, R. - Jurečka, P. - Mitas, L. - Hobza, Pavel - Otyepka, M.
    Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy.
    Physical Chemistry Chemical Physics. Roč. 16, č. 38 (2014), s. 20915-20923. ISSN 1463-9076. E-ISSN 1463-9084
    R&D Projects: GA ČR GBP208/12/G016
    Grant - others:GA ČR(CZ) GAP208/10/1742; GA MŠk(CZ) ED2.1.00/03.0058; European Social Fund(XE) CZ.1.07/2.3.00/30.0004; European Social Fund(XE) CZ.1.07/2.3.00/20.0058
    Program: GA; ED
    Institutional support: RVO:61388963
    Keywords : basis set limit * interaction energies * CCSD(T)
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 4.493, year: 2014 ; AIS: 1.209, rok: 2014
    DOI: https://doi.org/10.1039/c4cp02093f
    Permanent Link: http://hdl.handle.net/11104/0237721
     
Number of the records: 1  

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