Conjugation in 1,4-diphenylbutadiyne and 1,2-diphenylacetylene: A combined experimental and theoretical study

Journal of Molecular Structure

Volumn 922, Issue 1-3, 2009, Pages 46-50

  Thomas, Reji ^a   Mallajyosula, Sairam S ^a   Lakshmi, S ^a   Pati, Swapan K ^a   Kulkarni, G U ^a  

^a JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

Author keywords

Charge density; Conjugation; Crystallography; Density functional theory; Structure; Transmission

Indexed keywords

CHARGE DENSITY; CHEMICAL BONDS; CRYSTALLOGRAPHY; MINERALOGY;

ASYMMETRIC UNITS; CONJUGATION; DENSITY PARAMETERS; DIPHENYLACETYLENE; DOUBLE BONDS; EXPERIMENTAL CHARGE DENSITIES; EXTENDED CONJUGATIONS; LANDAUER; MOLECULAR SYSTEMS; STRUCTURE; THEORETICAL STUDIES; TRANSPORT CHARACTERISTICS; TRIPLE BONDS;

DENSITY FUNCTIONAL THEORY;

EID: 61849166667     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2009.01.043     Document Type: Article

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