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MNDO Study of Tautomerism in 3-Acetyltetramic Acid

Mirjana Eckert-Maksić ; Department of Organic Chemistry and Biochemistry, »Rudjer Bošković" Institute, 41001 Zagreb, Croatia, Yugoslavia
Ljiljana Maksimović ; Department of Organic Chemistry and Biochemistry, »Rudjer Bošković" Institute, 41001 Zagreb, Croatia, Yugoslavia

Puni tekst: engleski, pdf (5 MB) str. 757-767 preuzimanja: 58* citiraj
APA 6th Edition
Eckert-Maksić, M. i Maksimović, Lj. (1986). MNDO Study of Tautomerism in 3-Acetyltetramic Acid. Croatica Chemica Acta, 59 (3), 757-767. Preuzeto s https://hrcak.srce.hr/177303
MLA 8th Edition
Eckert-Maksić, Mirjana i Ljiljana Maksimović. "MNDO Study of Tautomerism in 3-Acetyltetramic Acid." Croatica Chemica Acta, vol. 59, br. 3, 1986, str. 757-767. https://hrcak.srce.hr/177303. Citirano 24.09.2020.
Chicago 17th Edition
Eckert-Maksić, Mirjana i Ljiljana Maksimović. "MNDO Study of Tautomerism in 3-Acetyltetramic Acid." Croatica Chemica Acta 59, br. 3 (1986): 757-767. https://hrcak.srce.hr/177303
Harvard
Eckert-Maksić, M., i Maksimović, Lj. (1986). 'MNDO Study of Tautomerism in 3-Acetyltetramic Acid', Croatica Chemica Acta, 59(3), str. 757-767. Preuzeto s: https://hrcak.srce.hr/177303 (Datum pristupa: 24.09.2020.)
Vancouver
Eckert-Maksić M, Maksimović Lj. MNDO Study of Tautomerism in 3-Acetyltetramic Acid. Croatica Chemica Acta [Internet]. 1986 [pristupljeno 24.09.2020.];59(3):757-767. Dostupno na: https://hrcak.srce.hr/177303
IEEE
M. Eckert-Maksić i Lj. Maksimović, "MNDO Study of Tautomerism in 3-Acetyltetramic Acid", Croatica Chemica Acta, vol.59, br. 3, str. 757-767, 1986. [Online]. Dostupno na: https://hrcak.srce.hr/177303. [Citirano: 24.09.2020.]

Sažetak
The tautomerism of 3-acetyltetramic acid was investigated by using the semiempirical MNDO method. Calculations predict that the exo-enol tautomers (B and D) are more stable than the endo-enol forms (A and Cl. The estimated !1Hr's are -473.7, -475.2, -457.5 and -453.4 kjoule mol:", respectively. Lactim tautomers A' and B' are found to be by ca. 22 kjoule mol? less stable than the corresponding lactam tautomers A and B. The origtn of relative stabilities of tautomers is elucidated by the energy partitioning technique.

Hrčak ID: 177303

URI
https://hrcak.srce.hr/177303

Posjeta: 122 *