"Posun C-H vazebn\u00E9 frekvence dimeru benzenu: srovn\u00E1n\u00ED experimentu a teorie"@cs . . "2107;2111" . "Pito\u0148\u00E1k, Michal" . "C-H stretching vibrational shift of benzene dimer: Consistency of experiment and calculation" . "P(GA203/05/0009), P(IAA400550510), P(LC512), Z(AV0Z40550506)" . "Three low-energy structures of the benzene dimer are investigated by several theoretical procedures (RI-MP2, CCSD(T), RI-DFT-D, DFT/BH&H), covering London dispersion energy. The RI-DFT-D and CCSD(T) calculations are used to verify the DFT/BH&H dimer characteristics, as only at this level can anharmonic calculations be performed." . . . . "Three low-energy structures of the benzene dimer are investigated by several theoretical procedures (RI-MP2, CCSD(T), RI-DFT-D, DFT/BH&H), covering London dispersion energy. The RI-DFT-D and CCSD(T) calculations are used to verify the DFT/BH&H dimer characteristics, as only at this level can anharmonic calculations be performed."@en . "C-H stretching vibrational shift of benzene dimer: Consistency of experiment and calculation"@en . "Posun C-H vazebn\u00E9 frekvence dimeru benzenu: srovn\u00E1n\u00ED experimentu a teorie"@cs . "C-H stretching vibrational shift of benzene dimer: Consistency of experiment and calculation" . . . "5"^^ . "3"^^ . . . "RIV/61388963:_____/07:00092898!RIV08-AV0-61388963" . "Hobza, Pavel" . . "T\u0159i energeticky nejni\u017E\u0161\u00ED struktury dimeru benz\u00E9nu byly studov\u00E1ny na r\u016Fzn\u00FDch \u00FArovn\u00EDch teorie (RI-MP2, CCSD(T), RI-DFT-D, DFT/BH&H), je\u017E zahrnuj\u00ED Londonovu disperzn\u00ED energii. RI-DFT-D a CCSD(T) jsou pou\u017Eity pro verifikaci DFT/BH&H v\u00FDpo\u010Dt\u016F, proto\u017Ee pouze na t\u00E9to \u00FArovni lze prov\u00E9st anharmonick\u00E9 v\u00FDpo\u010Dty vibra\u010Dn\u00EDch frekvenc\u00ED."@cs . . "ChemPhysChem" . "benzene dimer; C-H stretching vibrational shift; ab initio calculations"@en . "1439-4235" . "2"^^ . "RIV/61388963:_____/07:00092898" . "C-H stretching vibrational shift of benzene dimer: Consistency of experiment and calculation"@en . . "DE - Spolkov\u00E1 republika N\u011Bmecko" . . . . "[70006A396681]" . . "Wang, W." . . . "8" . "14" . . "413176" . . .