Dynamics of the central phenylene ring torsional motion in halogenated phenylene ethynylene oligomers. A quantum-theoretical contribution to the study of conformational basis for single-molecule switching phenomena

Chemical Physics

Volumn 340, Issue 1-3, 2007, Pages 1-11

  Pejov, Ljupčo ^a   Rosa, Manuela La ^b   Kocarev, Ljupčo ^c,d  

^a SS CYRIL AND METHODIUS UNIVERSITY   (Macedonia)

^b STMICROELECTRONICS   (Italy)

^c UNIVERSITY OF CALIFORNIA   (United States)

^d MACEDONIAN ACADEMY OF SCIENCES AND ARTS   (Macedonia)

Author keywords

Correlation time; Density functional theory; Frontier molecular orbitals; Intramolecular torsions; Molecular conductance; Molecular switching phenomena; Phenylene ethynylene oligomers

Indexed keywords

EID: 35548966077     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2007.05.034     Document Type: Article

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