A study of the X̃2A2 state of KO2 using Ab initio and density functional theory: The equilibrium geometry and vibrational frequencies

Journal of Physical Chemistry A

Volumn 102, Issue 6, 1998, Pages 1036-1040

  Lee, Edmond P F ^a   Wright, Timothy G ^a  

^a UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; ELECTRONIC DENSITY OF STATES; MOLECULAR VIBRATIONS; OPTIMIZATION; OXIDES;

BOND LENGTH; GEOMETRY OPTIMIZATION; VIBRATIONAL FREQUENCIES;

POTASSIUM COMPOUNDS;

EID: 0032484768     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp973280m     Document Type: Article

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