Multiple hydrogen-bonded complexes based on 2-ureido-4[1H]-pyrimidinone: A theoretical study

Journal of Physical Chemistry B

Volumn 115, Issue 38, 2011, Pages 11053-11062

  Sun, Hao ^a,b   Lee, Hui Hui ^b,c   Blakey, Idriss ^b   Dargaville, Bronwin ^b   Chirila, Traian V ^b,c,d   Whittaker, Andrew K ^b,c   Smith, Sean C ^b  

^a NORTHEAST NORMAL UNIVERSITY   (China)

^b UNIVERSITY OF QUEENSLAND   (Australia)

^c QUEENSLAND EYE INSTITUTE   (Australia)

^d QUEENSLAND UNIVERSITY OF TECHNOLOGY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; DIMERIZATION; DIMERS; ELECTRONIC STRUCTURE; SOLVENTS; VACUUM;

ACCEPTOR SITES; DENSITY FUNCTIONALS; ELECTRON-DONATING ABILITY; HYDROGEN-BONDED COMPLEXES; INTERMOLECULAR HYDROGEN BONDS; RED SHIFT; SOLVENT EFFECTS; THEORETICAL STUDY; TOPOLOGICAL ANALYSIS; WATER MOLECULE;

HYDROGEN BONDS;

EID: 84961974082     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp2061305     Document Type: Article

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