Quantum dynamical investigation of the simplest Criegee intermediate CH2OO and its O-O photodissociation channels

Journal of Chemical Physics

Volumn 141, Issue 13, 2014, Pages

  Samanta, Kousik ^a,b   Beames, Joseph M ^a   Lester, Marsha I ^a   Subotnik, Joseph E ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b INDIAN INSTITUTE OF TECHNOLOGY BHUBANESWAR   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROSCOPY; DYNAMICS; ELECTRONIC STATES; MEAN FIELD THEORY; MOLECULAR ORBITALS; PHOTODISSOCIATION; POTENTIAL ENERGY;

COMPLETE ACTIVE SPACE SELF CONSISTENT FIELDS; CRIEGEE INTERMEDIATES; ELECTRONIC ABSORPTION SPECTRA; ELECTRONIC POTENTIAL-ENERGY; ELECTRONIC POTENTIALS; EXCITED ELECTRONIC STATE; EXCITED SINGLET STATE; VIBRATIONAL STRUCTURES;

EXCITED STATES;

ALKENE; OZONE;

CHEMICAL STRUCTURE; CHEMISTRY; PHOTOLYSIS; QUANTUM THEORY; THERMODYNAMICS;

ALKENES; MODELS, MOLECULAR; OZONE; PHOTOLYSIS; QUANTUM THEORY; THERMODYNAMICS;

EID: 84907778051     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4894746     Document Type: Article

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