ClClCO2 is the most stable isomer of Cl2O 2. Accurate coupled cluster energetics and electronic spectra of Cl2O2 isomers

Journal of Physical Chemistry A

Volumn 112, Issue 40, 2008, Pages 9623-9627

  Matus, Myrna H ^a   Nguyen, Minh T ^a   Dixon, David A ^a   Peterson, Kirk A ^b   Francisco, Joseph S ^c  

^a UNIVERSITY OF ALABAMA   (United States)

^b WASHINGTON STATE UNIVERSITY   (United States)

^c PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ACCURATE; BOND DISSOCIATION ENERGIES; CCSD; COMPLETE BASIS SETS; COUPLED CLUSTERS; ELECTRONIC TRANSITIONS; LONGER WAVELENGTHS; SINGLET STATES; STABLE ISOMERS; STRUCTURE CALCULATIONS;

CHLORINE COMPOUNDS; ELECTRONIC STRUCTURE; EQUATIONS OF MOTION;

ISOMERS;

EID: 54849432620     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp806220r     Document Type: Article

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