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  • Molecular Structure, Vibrational Spectroscopic (FT-IR, FT-Raman),UV-Vis Spectra, First Order Hyperpolarizability, NBO Analysis, HOMO and LUMO Analysis, Thermodynamic Properties of 2,6-Dichloropyrazine by Ab Initio HF and Density Functional Method

    M. V. S. Prasad, N. Udaya Sri, A. Veeraiah, V. Veeraiah, K. Chaitanya
    2013-04-01
    29445 3339 Pages:1-17
  • DFT and TD-DFT Studies on a Schiff Base Containing Phenylalanine Derived from Curcumin

    Ping Deng, Hai-Dong Zhang, Jun-Hao Jiang, Qi-Hua Jiang
    2018-08-15
    27669 3165 Pages:51-57
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