Coupled-cluster calculations of C2H2Si and CNHSi structural isomers

Journal of Chemical Physics

Volumn 130, Issue 21, 2009, Pages

  Thorwirth, Sven ^a,c   Harding, Michael E ^b,d  

^a MAX PLANCK INSTITUT FÜR RADIOASTRONOMIE   (Germany)

^b JOHANNES GUTENBERG UNIVERSITY   (Germany)

^c UNIVERSITY OF COLOGNE   (Germany)

^d UNIVERSITY OF TEXAS AT AUSTIN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONIC FORCE FIELD; BASIS FUNCTIONS; BOND ANGLE; CCSD; CCSD CALCULATIONS; CORRELATION CONSISTENT BASIS SETS; COUPLED-CLUSTER CALCULATIONS; COUPLED-CLUSTER SINGLES AND DOUBLES; ELECTRONIC CONTRIBUTIONS; EQUILIBRIUM GEOMETRIES; EQUILIBRIUM STRUCTURES; FUTURE LABORATORY; GASPHASE; HIGH SPECTRAL RESOLUTION; INFRARED MATRIX ISOLATION; ISOTOPIC DATA; MICROWAVE DATA; MOLECULAR PARAMETERS; ROTATION-VIBRATION INTERACTION; ROTATIONAL CONSTANTS; STRUCTURAL ISOMERS; TRIPLE EXCITATION; VALENCE BASIS SETS; VIBRATIONAL FREQUENCIES; VIBRATIONAL FUNDAMENTALS; ZETA QUALITY;

CHEMICAL ELEMENTS; INFRARED SPECTROSCOPY; ISOMERS; MODEL STRUCTURES; MOLECULAR ORBITALS; MOLECULES; SET THEORY; SILICON;

EQUILIBRIUM CONSTANTS;

EID: 67249115594     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3142702     Document Type: Article

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