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DFT investigation on the structural and vibrational behaviours of the non-protein amino acids in hybrid explicit/continuum solvent: a case of the zwitterions γ-aminobutyric and α - aminoisobutyric acids.

Autor: Dague Y; Higher Teacher's Training College, The University of Maroua, P.O. Box 46, Maroua, Cameroon., Koyambo-Konzapa SJ; Laboratoire Matière, Energie et Rayonnement (LAMER), Université de Bangui, P.O. Box 1450, Bangui, Central African Republic. koyamboj@yahoo.fr., Nose H; School of Chemistry and Material Science, The Technical University of Kenya, Nairobi, 52428-00200, Kenya., Minguirbara A; Higher Teacher's Training College, The University of Maroua, P.O. Box 46, Maroua, Cameroon., Nsangou M; Higher Teacher's Training College, The University of Maroua, P.O. Box 46, Maroua, Cameroon. mnsangou1@gmail.com.; Department of Physics, Faculty of Sciences, University of Ngaoundere, P.O. Box 454, Ngaoundere, Cameroon. mnsangou1@gmail.com., Amolo G; Materials Modeling Group, School of Physics and Earth Science, The Technical University of Kenya, Nairobi, 52428-00200, Kenya.

Publikováno v: Journal of molecular modeling [J Mol Model] 2023 Dec 29; Vol. 30 (1), pp. 17. Date of Electronic Publication: 2023 Dec 29.