lvpp/sigma

Cinnamic acid derivatives (CADs)

Closed this issue · 2 comments

rpseng commented

Please add the following CADs:

  • p-coumaric acid
  • caffeic acid
  • methyl p-coumarate
  • methyl ferulate
  • methyl sinapate
rpseng commented

Structures of these molecules can be found here: dx.doi.org/10.1016/j.fluid.2014.02.015

fferrarini commented

These compounds were computed and will be added in the next release.