Theoretical study of the acidity and basicity of uric acid and its interaction with water

Journal of Molecular Structure: THEOCHEM

Volumn 811, Issue 1-3, 2007, Pages 215-221

  Chandra, Asit K ^a   Zeegers Huyskens, Thérèse ^b  

^a NORTH EASTERN HILL UNIVERSITY   (India)

^b UNIVERSITY OF LEUVEN   (Belgium)

Author keywords

B3LYP 6 31++G(d,p) calculations; Deprotonation enthalpy of NH bonds; Interaction with water; Natural bond orbital analysis; Proton affinity of O atoms; Uric acid

Indexed keywords

EID: 34248231820     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2007.02.021     Document Type: Article

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