Electronic structure, molecular electrostatic potential and hydrogen bonding in DMSO-X complexes (X = ethanol, methanol and water).

  • Nilesh R Dhumal
  • Published 2011 in
    Spectrochimica acta. Part A, Molecular and…

Abstract

In the present work, we have studied the electronic structure, molecular electrostatic potential (MEP) and hydrogen bonding in DMSO-ethanol, DMSO-methanol and DMSO-water complexes by employing the MP2 method. Different conformers were simulated on the basis of possible binding sites guided by molecular electrostatic potential topology. The stronger hydrogen… (More)
DOI: 10.1016/j.saa.2011.03.052

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