Ab initio ro-vibrational spectroscopy of the group 11 cyanides: CuCN, AgCN, and AuCN

Journal of Chemical Physics

Volumn 138, Issue 13, 2013, Pages

  Grant Hill, J ^a   Mitrushchenkov, Alexander O ^b   Peterson, Kirk A ^c  

^a UNIVERSITY OF GLASGOW   (United Kingdom)

^b Université Paris Est Créteil   (France)

^c WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CARBON; CYANIDES; ELECTRON SPIN RESONANCE SPECTROSCOPY; GOLD COMPOUNDS; NUMERICAL METHODS; POTENTIAL ENERGY; QUANTUM CHEMISTRY; SILVER COMPOUNDS; VARIATIONAL TECHNIQUES; VIBRATIONAL SPECTRA;

ATOMIZATION ENERGIES; CORRELATION CONSISTENT BASIS SETS; COUPLED-CLUSTER METHODS; DIPOLE MOMENT FUNCTIONS; EQUILIBRIUM GEOMETRIES; EQUILIBRIUM POTENTIALS; RO-VIBRATIONAL SPECTROSCOPIES; VARIATIONAL CALCULATION;

COPPER COMPOUNDS;

EID: 84876131310     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4798638     Document Type: Article

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