Efficient protocol for quantum Monte Carlo calculations of hydrogen abstraction barriers: Application to methanol

Citation

Swann, E, Coote, M, Barnard, A et al 2017, 'Efficient protocol for quantum Monte Carlo calculations of hydrogen abstraction barriers: Application to methanol', International Journal of Quantum Chemistry, vol. 117, no. 9, pp. -.

Year

2017

Field of Research

  • Quantum Chemistry

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