Experimental and Computational Vibration Study of Amino Acids

• Autorzy: Mohammed M. E. , Mohamed A. M. A.
• Języki publikacji: EN

Abstrakty

EN

Vibrational studies of amino acids experimentally and theoretically have been performed. The Semi-empirical methods optimization by PM6 and RM1 on the l- and d-amino acids (alanine, phenylalanine, aspartic and glutamic acid), showed no difference in energy between l-and d-isomers. The vibrational frequencies were calculated by semi-emprical methods (PM6 and RM1) and ab initio methods (B3LYP/6-31+G(d) and were scaled down by factors of 0.925 (RM1), 1.09 (PM6) and 0.89 (B3LYP/6-31+G(d)). The calculated and experimental vibrational frequencies have shown good general agreement.

Słowa kluczowe

EN

Vibrational studies; Amino Acids; semi-empirical methods (PM6 and RM1); ab initio methods (B3LYP/6-31+G(d)

• Wydawca: Przedsiębiorstwo Wydawnictw Naukowych "DARWIN"
• Czasopismo: International Letters of Chemistry, Physics and Astronomy
• Rocznik: 2013
• Tom: Vol. 10, iss. 1
• Strony: 1--17
• Opis fizyczny: Bibliogr. 27 poz., wz., tab.

Twórcy

autor

Mohammed M. E.

• Department of Chemistry, College of Applied and Industrial Sciences, University of Bahri, Sudan

autor

Mohamed A. M. A.

• Department of Chemistry, Faculty of Education, Alzaiem Alazhari University, Sudan

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