Ab initio computational spectroscopy and vibrational dynamics of polyatomic molecules: Applications to syn and anti-CH3CHOO and NO3

Journal of Molecular Spectroscopy

Volumn 311, Issue , 2015, Pages 2-11

  Bowman, Joel M ^a   Wang, Xiaohong ^a   Homayoon, Zahra ^a  

^a EMORY UNIVERSITY   (United States)

Author keywords

Crigee intermediate; NO3 isotope effects; Potential energy surfaces

Indexed keywords

ABSTRACTING; CALCULATIONS; CARRIER MOBILITY; ISOTOPES; MOLECULAR PHYSICS; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

COMPUTATIONAL SPECTROSCOPY; CRIGEE INTERMEDIATE; DIPOLE MOMENT SURFACES; ISOTOPE EFFECT; POLYATOMIC MOLECULES; VIBRATIONAL CALCULATIONS; VIBRATIONAL DYNAMICS; VIBRATIONAL ENERGIES;

POTENTIAL ENERGY;

EID: 84928008897     PISSN: 00222852     EISSN: 1096083X     Source Type: Journal    
DOI: 10.1016/j.jms.2014.12.012     Document Type: Article

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