Dynamic Nature of the Intramolecular Electronic Coupling Mediated by a Solvent Molecule: A Computational Study

Journal of the American Chemical Society

Volumn 126, Issue 7, 2004, Pages 2215-2224

  Troisi, Alessandro ^a,c   Ratner, Mark A ^a   Zimmt, Matthew B ^b  

^a NORTHWESTERN UNIVERSITY   (United States)

^b BROWN UNIVERSITY   (United States)

^c UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; ORGANIC SOLVENTS; QUANTUM THEORY;

ELECTRON TRANSFER; ELECTRONIC COUPLING;

MOLECULAR DYNAMICS;

ACETONITRILE; BENZENE; BENZENE DERIVATIVE; DIISOPROPYLBENZENE; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; CALCULATION; CHEMICAL STRUCTURE; ELECTRON; ELECTRON TRANSPORT; MICROSCOPY; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SURFACE CHARGE; THEORETICAL MODEL;

EID: 1242319476     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja038905a     Document Type: Article

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