Login / Signup

Improving the efficiency and convergence of geometry optimization with the polarizable continuum model: New energy gradients and molecular surface tessellation.

Hui LiJan H. Jensen
Published in: J. Comput. Chem. (2004)
Keyphrases
  • probabilistic model
  • computational model
  • three dimensional
  • multi objective
  • wireless sensor networks
  • optimization process
  • optimization model
  • surface reconstruction