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• Published Subscription 17 Feb 2021

  Ab Initio and Density Functional Theory Studies on D-Serine

  By Hannah Ruben, J. Sharmi Kumar, A. Bright

  Abstract: The Hartee-Fock and density functional method (B3LYP) with 6–311++G (d, p) basis set were employed to study the structural and spectroscopic properties of amino acid D-serine in ground state. The structural and vibrational parameters of amino acid D-serine were obtained using optimised conformer. Using Vibrational Energy Distribution Analysis (VEDA) 4 program and theoretically obtained FTIR and FT-Raman data complete assignment of vibrations and analysis of fundamental modes of the compound …

  Published in Research & Reviews : Journal of Physics · Vol. 9, Issue 3, 2020 · pp. 29–45 Read article →