High-accuracy estimates for the vinylidene-acetylene isomerization energy and the ground state rotational constants of:C=CH2

Journal of Physical Chemistry A

Volumn 117, Issue 46, 2013, Pages 11679-11683

  Lee, Hyunwoo ^a   Baraban, Joshua H ^b   Field, Robert W ^b   Stanton, John F ^a  

^a UNIVERSITY OF TEXAS AT AUSTIN   (United States)

^b MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BORN-OPPENHEIMER CORRECTIONS; CORRELATION EFFECT; ELECTRONIC CONTRIBUTIONS; EQUILIBRIUM STRUCTURES; ROTATIONAL CONSTANTS; THERMOCHEMICAL CALCULATIONS; VIBRATIONAL CONTRIBUTIONS; VIBRATIONAL LEVELS;

ACETYLENE; EQUILIBRIUM CONSTANTS; GROUND STATE; ISOMERIZATION; ISOMERS; LIGHTING;

UNCERTAINTY ANALYSIS;

EID: 84888598896     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp400035a     Document Type: Article

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