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0437069 - FZÚ 2015 RIV US eng J - Journal Article
Červinka, C. - Fulem, Michal - Růžička, K.
Evaluation of uncertainty of ideal-gas entropy and heat capacity calculations by density functional theory (DFT) for molecules containing symmetrical internal rotors.
Journal of Chemical and Engineering Data. Roč. 58, č. 5 (2013), s. 1382-1390. ISSN 0021-9568. E-ISSN 1520-5134
Institutional support: RVO:68378271
Keywords : chemical thermodynamic properties * ab-initio calculation * vapor-pressure * xylene isomerization * organic-compounds * hindered rotation * methyl-groups * vaporization
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 2.045, year: 2013
Permanent Link: http://hdl.handle.net/11104/0240648