Now showing items 1-1 of 1
Elucidation of structure − property correlations using experimental Nuclear Magnetic Resonance (NMR) and Fourier Transform Infrared (FTIR) specroscopy analysis, and Density Functional Theory (DFT) calculations of the Difurylmethane (DFM) molecule, and difurylmethane-methanol clusters
(University of Botswana, www.ub.bw, 2019-02)
Ab Initio Hatree-Fock (HF) and Density Functional Theory (DFT) are used to study the molecular structure of difurylmethane (DFM) and its interaction with methanol (MeOH) in the formation of DFM-MeOH complexes. The molecular ...