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0489837 - ÚOCHB 2019 RIV US eng J - Journal Article
Řezáč, Jan - Bím, Daniel - Gutten, Ondrej - Rulíšek, Lubomír
Toward Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set.
Journal of Chemical Theory and Computation. Roč. 14, č. 3 (2018), s. 1254-1266. ISSN 1549-9618. E-ISSN 1549-9626
R&D Projects: GA ČR(CZ) GA17-24155S; GA ČR(CZ) GJ16-11321Y
Institutional support: RVO:61388963
Keywords : density functional theory * main group thermochemistry * generalized gradient approximation
OECD category: Physical chemistry
Impact factor: 5.313, year: 2018
Permanent Link: http://hdl.handle.net/11104/0284170