A first-principles model of fermi resonance in the alkyl CH stretch region: Application to hydronaphthalenes, indanes, and cyclohexane

Journal of Physical Chemistry B

Volumn 118, Issue 28, 2014, Pages 8236-8245

  Sibert, Edwin L ^a   Kidwell, Nathanael M ^b   Zwier, Timothy S ^b  

^a UNIVERSITY OF WISCONSIN MADISON   (United States)

^b PURDUE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CYCLOHEXANE; FREE RADICALS; RESONANCE;

1 ,4-DIHYDRONAPHTHALENE; DENSITY FUNCTIONAL THEORY METHODS; EXPERIMENTAL SPECTRA; FIRST-PRINCIPLES MODEL; REDUCED-DIMENSIONAL; SUPERSONIC EXPANSIONS; THEORETICAL HAMILTONIANS; THEORETICAL MODELING;

HAMILTONIANS;

EID: 84904548543     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp5014048     Document Type: Article

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