Computational study of energies and structures of 2,4,6-pyrimidinetrione and its anions

International Journal of Quantum Chemistry

Volumn 106, Issue 6, 2006, Pages 1338-1345

  Daskalova, Lalka I ^a   Binev, Ivan ^a  

^a INSTITUTE OF ORGANIC CHEMISTRY   (Bulgaria)

Author keywords

2,4,6 pyrimidinetrione; Ab initio HF; Anions; DFT B3LYP; Structure; Total energy

Indexed keywords

NEGATIVE IONS; PROBABILITY DENSITY FUNCTION; STRUCTURE (COMPOSITION);

2,4,6-PYRIMIDINETRIONE; AB INITIO HF; DFT B3LYP; TOTAL ENERGY;

KETONES;

EID: 33645698461     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.20891     Document Type: Conference Paper

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