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Journal of Molecular Modeling

Volumn 11, Issue 4-5, 2005, Pages 392-397

Reinvestigation of molecular structure and barrier to internal rotation of pyridinium N-phenolate betaine dye

(3) Niewodniczański, Wawrzyniec a,b Bartkowiak, Wojciech a,b Leszczynski, Jerzy b

a WROCLAW UNIVERSITY OF TECHNOLOGY (Poland)

b JACKSON STATE UNIVERSITY (United States)

Author keywords

Betaine dye; Correlation energy; Geometrical parameters; Torsional barrier

Indexed keywords

4 (1 PYRIDINIUM 1 YL)PHENOLATE BETAINE; BETAINE DERIVATIVE; CARBON; NITROGEN; OXYGEN; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPUTER PROGRAM; CONTROLLED STUDY; CORRELATION ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRON; ENERGY TRANSFER; GEOMETRY; MATHEMATICAL COMPUTING; PRIORITY JOURNAL; RELIABILITY; ROTATION; THEORETICAL MODEL;

BETAINE; ELECTRONS; MODELS, MOLECULAR; MOLECULAR STRUCTURE; PYRIDINIUM COMPOUNDS; ROTATION;

EID: 27844463035 PISSN: 16102940 EISSN: None Source Type: Journal
DOI: 10.1007/s00894-005-0274-5 Document Type: Article

Times cited : (3)

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