Valence orbital response to conformers of n-butane

Molecular Simulation

Volumn 33, Issue 14, 2007, Pages 1173-1185

  Wang, F ^a   Pang, W ^b  

^a SWINBURNE UNIVERSITY OF TECHNOLOGY   (Australia)

^b TSINGHUA UNIVERSITY   (China)

Author keywords

Density functional theory calculations; Dual space analysis; Electron momentum spectroscopy; N butane conformational analysis; Valence orbital responses

Indexed keywords

CHEMICAL BONDS; DENSITY FUNCTIONAL THEORY; ELECTRON SPECTROSCOPY; IONIZATION POTENTIAL; PHOTOELECTRONS; POTENTIAL ENERGY; TOPOLOGY;

DENSITY FUNCTIONAL THEORY CALCULATIONS; DUAL SPACE ANALYSIS; ELECTRON MOMENTUM SPECTROSCOPY; N-BUTANE CONFORMATIONAL ANALYSIS; VALENCE ORBITAL RESPONSES;

BUTANE;

EID: 36949022707     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020701504137     Document Type: Article

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