Physical chemistry
DFT study of dimers of dimethyl sulfoxide in gas phase

Reza Fazaeli; Mohammad Solimannejad

Volume 2, Issue 4, pp. 236-325, Serial No. 5 , October 2014, , Pages 244-254

Abstract
  Density functional (DFT) calculations at M05-2x/aug-cc-pVDZ level were used to analyze the interactions between dimethyl sulfoxide (DMSO) dimers. The structures obtained have been analyzed with the Atoms in Molecules (AIMs) and Natural Bond Orbital (NBO) methodologies. Four minima were located on the ...  Read More

DFT study of dimers of dimethyl sulfoxide in gas phase