MORATE: a program for direct dynamics calculations of chemical reaction rates by semiempirical molecular orbital theory

  • Thanh N. Truong
  • , Da hong Lu
  • , Gillian C. Lynch
  • , Yi Ping Liu
  • , Vasilios S. Melissas
  • , James J.P. Stewart
  • , Rozeanne Steckler
  • , Bruce C. Garrett
  • , Alan D. Isaacson
  • , Angels Gonzalez-Lafont
  • , Sachchida N. Rai
  • , Gene C. Hancock
  • , Tomi Joseph
  • , Donald G. Truhlar

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Chemistry