Theoretical study of tautomeric forms of uracil. 1. Relative order of stabilities and their relation to proton affinities and deprotonation enthalpies

Journal of Physical Chemistry A

Volumn 105, Issue 8, 2001, Pages 1288-1295

  Kryachko, Eugene S ^a   Nguyen, Minh Tho ^a   Zeegers Huyskens, Thérèse ^a,b  

^a UNIVERSITY OF LEUVEN   (Belgium)

^b BOGOLYUBOV INSTITUTE FOR THEORETICAL PHYSICS   (Ukraine)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; CHEMICAL BONDS; ELECTRON ENERGY LEVELS; ENTHALPY; MOLECULAR STRUCTURE; NITROGEN; OXYGEN; POLYNOMIALS; POTENTIAL ENERGY; PROTONS; SURFACES;

DEPROTONATION ENTHALPHIES; PROTON AFFINITIES; RELATIVE ORDER OF STABILITY; SECOND ORDER POLYNOMIAL; TAUTOMERIZATION; URACIL;

ORGANIC COMPOUNDS;

EID: 0035280772     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp001031j     Document Type: Article

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