Efficient protocol for quantum Monte Carlo calculations of...

International Journal of Quantum Chemistry 2017 / 05 Vol. 117; Iss. 9

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

Swann, Ellen T., Coote, Michelle L., Barnard, Amanda S., Per, Manolo C.
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Volume:
117
Language:
english
Journal:
International Journal of Quantum Chemistry
DOI:
10.1002/qua.25361
Date:
May, 2017
File:
PDF, 723 KB
english, 2017
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