Elucidating electronic transitions from σ orbitals of liquid n- and branched alkanes by far-ultraviolet spectroscopy and quantum chemical calculations

Journal of Physical Chemistry A

Volumn 116, Issue 48, 2012, Pages 11957-11964

  Morisawa, Yusuke ^a   Tachibana, Shin ^b   Ehara, Masahiro ^c   Ozaki, Yukihiro ^b  

^a KINKI UNIVERSITY   (Japan)

^b KWANSEI GAKUIN UNIVERSITY   (Japan)

^c National Institutes of Natural Sciences   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

2 ,2-DIMETHYL BUTANE; ATTENUATED TOTAL REFLECTIONS; BRANCHED ALKANES; CARBON-CHAIN LENGTH; CLUSTER-CONFIGURATION INTERACTION; ELECTRONIC TRANSITION; FORBIDDEN TRANSITIONS; HIGHEST OCCUPIED MOLECULAR ORBITAL; LIQUID PHASE; N-ALKANES; ORBITALS; OVERLAPPING TRANSITIONS; QUANTUM CHEMICAL CALCULATIONS; QUATERNARY CARBON; RED SHIFT; RYDBERG; RYDBERG TRANSITIONS; TERM VALUE; THEORETICAL RESULT; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

BUTANE; CARBON; DENSITY FUNCTIONAL THEORY; DOPPLER EFFECT; LIQUIDS; MOLECULAR ORBITALS;

ORBITAL CALCULATIONS;

ALKANE;

ARTICLE; CHEMISTRY; ELECTRON; QUANTUM THEORY; ULTRAVIOLET SPECTROPHOTOMETRY;

ALKANES; ELECTRONS; QUANTUM THEORY; SPECTROPHOTOMETRY, ULTRAVIOLET;

EID: 84870826100     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp307634m     Document Type: Article

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