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
2017ANU Authors
Field of Research
- Quantum Chemistry