Theoretical study of new pyranoquinoxaline, pyrimido (pyrido) pyranoquinoxaline and quinoxalinone derivatives

• Autorzy: Castro E. A. , Moustafa O. S.
• Języki publikacji: EN

Abstrakty

EN

We present the results of structural theoretical calculations made with the Molecular Mechanics method for a series of new pyranoquinoxaline, pyrimido (pyrido) pyranoquinoxaline and quinoxalinone derivatives which have been recently synthetized. The different contributions to the steric energy are analysed for the new 19 molecules, some particular structural features are discussed and some possible extensions are pointed out.

Słowa kluczowe

EN

pyranoquinoxaline; pyrimido (pyrido) pyranoquinoxaline; quinoxalinone; molecular mechanics; force field

PL

chinoksalina; mechanika molekularna; pole sił

• Wydawca: Centrum Upowszechniania Nauki PAN
• Czasopismo: Bulletin of the Polish Academy of Sciences. Chemistry
• Rocznik: 2003
• Tom: Vol. 51, No. 1
• Strony: 59--69
• Opis fizyczny: Bibliogr. 21 poz.

Twórcy

autor

Castro E. A.

• Cequinor, Departamento de Química, Facultated de Ciencias Exactas, Universidad Nacional de la Plata, Calles 47 Y 115, C.C. 962, La Plata 1900, Argentina

autor

Moustafa O. S.

• Chemistry Department, Faculty of Science, Assiut University, Assiut 71516, Egypt

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