Theoretical rotation-torsion energies of HSOH

Journal of Chemical Physics

Volumn 129, Issue 15, 2008, Pages

  Ovsyannikov, Roman I ^a,e   Melnikov, Vladlen V ^a,f   Thiel, Walter ^b   Jensen, Per ^a   Baum, Oliver ^c   Giesen, Thomas F ^c   Yurchenko, Sergei N ^d  

^a UNIVERSITY OF WUPPERTAL   (Germany)

^b MAX PLANCK INSTITUT FÜR KOHLENFORSCHUNG   (Germany)

^c UNIVERSITY OF COLOGNE   (Germany)

^d DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^e INSTITUTE OF APPLIED PHYSICS   (Russian Federation)

^f TOMSK STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

HAMILTONIANS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; TORSIONAL STRESS; VARIATIONAL TECHNIQUES;

AB INITIO; CALCULATED VALUES; CCSD; ELECTRONIC GROUND STATES; MINIMUM ENERGY PATHS; REACTION PATHS; RELIABLE; RMS DEVIATIONS; ROVIBRATIONAL ENERGIES; SEMIEMPIRICAL MODELS; SPLITTINGS; TERM VALUES; TORSION ENERGIES; TORSION MOTIONS; TRANS CONFIGURATIONS; VARIATIONAL CALCULATIONS;

ROTATION;

EID: 54849421815     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2992050     Document Type: Article

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