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Volumn 84, Issue 5, 2010, Pages 826-830

Theoretical binding affinities and spectroscopy of complexes formed by cyclobis(paraquat-p-anthrancene) with some pharmaceutical molecules

(4) Ren, Xin a,b Luo, Zhouyang a Du, Jinpei a Wu, Shi a

a ZHEJIANG UNIVERSITY (China)

b ZHEJIANG UNIVERSITY (China)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATICITIES; B3LYP/6-31G; BASIS SET SUPERPOSITION ERRORS; BINDING AFFINITIES; C ATOMS; C-H BOND; CONJUGATION SYSTEM; ELECTRON CLOUDS; ELECTRON-WITHDRAWING EFFECTS; IR SPECTRUM; NITROGEN ATOM; OPTIMIZED GEOMETRIES; PM3 METHOD; RED-SHIFTED; SEMI-EMPIRICAL; SPECTROSCOPIC PROPERTY; STRETCHING VIBRATIONS; THEORETICAL INVESTIGATIONS;

BINDING ENERGY; CHEMICAL SHIFT; ERROR CORRECTION; HERBICIDES; HYDROGEN; HYDROGEN BONDS; STRETCHING;

COMPLEXATION;

EID: 77952414129 PISSN: 00360244 EISSN: None Source Type: Journal
DOI: 10.1134/S0036024410050201 Document Type: Article

Times cited : (4)

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