Login / Signup

Electronic absorption spectra of pyridine and nicotine in aqueous solution with a combined molecular dynamics and polarizable QM/MM approach.

Marco PagliaiGiordano ManciniIvan CarnimeoNicola De MitriVincenzo Barone
Published in: J. Comput. Chem. (2017)
Keyphrases
  • molecular dynamics
  • high performance computing
  • building blocks
  • mathematical model
  • molecular dynamics simulations