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Basis set and correlation effects in the calculation of accurate gas phase dimerization energies of two M+2 to give M2+4 (M = S, Se).

H. Donald B. JenkinsLuminita C. JitariuIngo KrossingJack PassmoreReijo Suontamo
Published in: J. Comput. Chem. (2000)
Keyphrases
  • genetic algorithm
  • neural network
  • small number
  • computationally efficient
  • real time
  • machine learning
  • evolutionary algorithm
  • higher order
  • markov random field
  • correlation coefficient
  • initial set