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The Increase of the Reactivity of Molecular Hydrogen with Hydroxyl Radical from the Gas Phase versus an Aqueous Environment: Quantum Chemistry and Transition State-Theory Calculations.

Valter H. Carvalho-SilvaEduardo C. VazNayara D. CoutinhoHikaru KobayashiYuki KobayashiToshio KasaiFederico PalazzettiAndrea LombardiVincenzo Aquilanti
Published in: ICCSA (6) (2019)
Keyphrases
  • dynamic environments
  • quantum computing
  • quantum mechanics
  • real time
  • three dimensional
  • mobile robot
  • genetic algorithm
  • state transition
  • transition model
  • molecular dynamics
  • initially unknown