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Volumn 293, Issue 3, 2003, Pages 355-363

Density functional and ab initio study of the tautomeric forms of 3-acetyl tetronic and 3-acetyl tetramic acids

Author keywords

[No Author keywords available]

Indexed keywords

3 ACETYLTETRAMIC ACID; 3 ACETYLTETRONIC ACID; TETRAMIC ACID DERIVATIVE; TETRONIC ACID DERIVATIVE; UNCLASSIFIED DRUG;

EID: 0042763878     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0301-0104(03)00359-8     Document Type: Article
Times cited : (23)

References (38)
  • 36
    • 85031082353 scopus 로고    scopus 로고
    • note
    • All contributions to the Gibbs Free energies were obtained by frequency calculations at the B3LYP pVDZ level on the B3LYP pVDZ optimised geometries and added to the MP2 pTZV//B3LYP pVDZ energies as the geometry optimisation and frequency calculation at the MP2 pTZV level would result in a prohibitive computational overhead.
  • 38
    • 85031079557 scopus 로고    scopus 로고
    • note
    • 3 solution).


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.