"Fundamentals; Equilibrium structure; Ab initio calculations; Symmetry breaking; FSO(3); Radical"@en . "P(GP203/09/P306), P(IAA400400504)" . "235098" . . . . "Struct.Chem." . . "7"^^ . "22" . . . . . "2"^^ . . "RIV/60461373:22340/11:43875700!RIV12-AV0-22340___" . "3" . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "000290030400007" . "2"^^ . . . . "Six different theoretical approaches (MP2, DFT-B3LYP/MPW3LYP, QCISD, UHF/ROHF-CCSD, UHF/ROHF-CCSD[T], and EOMIP-CCSD) were employed for a detailed theoretical investigation of a minimum on the potential surface of the fluorosulfate radical FSO(3) ground state. Optimized geometries, spin distributions, vibrational frequencies, and centrifugal distortion constants were calculated within C (3v) and C (1) initial symmetry constraints."@en . . . . "1040-0400" . . "Six different theoretical approaches (MP2, DFT-B3LYP/MPW3LYP, QCISD, UHF/ROHF-CCSD, UHF/ROHF-CCSD[T], and EOMIP-CCSD) were employed for a detailed theoretical investigation of a minimum on the potential surface of the fluorosulfate radical FSO(3) ground state. Optimized geometries, spin distributions, vibrational frequencies, and centrifugal distortion constants were calculated within C (3v) and C (1) initial symmetry constraints." . "22340" . "10.1007/s11224-010-9727-2" . "Theoretical investigation of the equilibrium structure of the FSO(3) radical"@en . . "RIV/60461373:22340/11:43875700" . "Theoretical investigation of the equilibrium structure of the FSO(3) radical"@en . . . "[6A6BA8BFDFCC]" . "Theoretical investigation of the equilibrium structure of the FSO(3) radical" . . . "Theoretical investigation of the equilibrium structure of the FSO(3) radical" . "Urban, \u0160t\u011Bp\u00E1n" . "Uhl\u00EDkov\u00E1, Tereza" .