Theoretical studies of the solvent effect on conformational equilibria and atomic charges for isolated and hydrogen-bonded dimethoxy thiadiazoles Article (Web of Science)

cited authors

  • Nagy, Peter I.; Tejada, Frederick R.; Kim, Yong-Wah; Messer, William S.; Jr.

authors

publication date

  • June 1, 2011

webpage

published in

author keyword

  • Atomic charges
  • Charge transfer
  • Conformational equilibria
  • Dimethoxy thiadiazoles
  • Monte Carlo simulations
  • PCM

category

start page

  • 194

end page

  • 206

volume

  • 966

issue

  • 1-3