Quantum chemical studies on tautomerism of barbituric acid in gas phase and in solution

Journal of Computer-Aided Molecular Design

Volumn 16, Issue 4, 2002, Pages 263-272

  Senthilkumar, K ^a   Kolandaivel, P ^a  

^a BHARATHIAR UNIVERSITY   (India)

Author keywords

13C NMR chemical shift; Barbituric acid; Relative stability; Tautomer

Indexed keywords

CHEMICAL SHIFT; CHEMICAL STABILITY; DENSITY FUNCTIONAL THEORY; GASES;

13C-NMR CHEMICAL SHIFT; AB-INITO; BARBITURIC ACID; GAS-PHASES; HF/6-31G; NMR CHEMICAL SHIFTS; POLAR MEDIA; QUANTUM CHEMICAL STUDIES; RELATIVE STABILITIES; TAUTOMER;

QUANTUM CHEMISTRY;

BARBITURIC ACID;

AB INITIO CALCULATION; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CONTROLLED STUDY; DRUG BINDING; DRUG STABILITY; DRUG STRUCTURE; GAS; HARDNESS; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; QUANTUM CHEMISTRY; STRUCTURE ANALYSIS; THEORETICAL STUDY;

EID: 84962464453     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1020273219651     Document Type: Article

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