Login / Signup

A method to calculate the one-electron reduction potentials for nitroaromatic compounds based on gas-phase quantum mechanics.

Kathy L. PhillipsStanley I. SandlerPei C. Chiu
Published in: J. Comput. Chem. (2011)
Keyphrases
  • objective function
  • cost function
  • support vector machine
  • neural network
  • data mining
  • decision making
  • evolutionary algorithm
  • optimization method