Charge distribution and second-order nonlinear optical response of charged centrosymmetric chromophore aggregates. An ab initio electronic structure study of p-nitroaniline dimers

Journal of the American Chemical Society

Volumn 119, Issue 13, 1997, Pages 3003-3006

  Di Bella, Santo ^a   Lanza, Giuseppe ^a   Fragalà, Ignazio ^a   Yitzchaik, Shlomo ^b   Ratner, Mark A ^b   Marks, Tobin J ^c  

^a UNIVERSITY OF CATANIA   (Italy)

^b HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^c NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO SUPERMOLECULAR; CHARGE DISTRIBUTION; CHARGED CENTROSYMMETRIC AGGREGATES; CHROMOPORE; ELECTRON LOCALIZATION; NITROANILINE DIMERS; NONLINEAR OPTICAL RESPONSE;

CALCULATIONS; ELECTRIC FIELDS; ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; NONLINEAR OPTICS; POLYMERS; QUANTUM THEORY;

CHARGED PARTICLES;

ANILINE DERIVATIVE; POLYMER;

ARTICLE; DRUG STRUCTURE; ELECTROCHEMISTRY; MOLECULAR DYNAMICS; QUANTUM CHEMISTRY; SPECTROPHOTOMETRY; THEORY;

EID: 0031547527     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja963490x     Document Type: Article

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