H2 Adsorption in a Porous Crystal: Accurate First-Principles Quantum Simulation

Citation

D'Arcy, J, Jordan, M, Frankcombe, T et al 2015, 'H2 Adsorption in a Porous Crystal: Accurate First-Principles Quantum Simulation', Journal of Physical Chemistry A, vol. 119, no. 50, pp. 12166-12181.

Year

2015

ANU Authors

Fields of Research

  • Reaction Kinetics And Dynamics
  • Quantum Chemistry

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