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Watson, Nathan A. I., Black, Joshua A., Stonelake, Thomas M., Knowles, Peter J.  ORCID: https://orcid.org/0000-0003-4657-6331 and Beames, Joseph M ORCID: https://orcid.org/0000-0002-5508-8236
2019.
An extended computational study of Criegee intermediate - alcohol reactions.
Journal of Physical Chemistry A
123
(1)
, pp. 218-229.
10.1021/acs.jpca.8b09349
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Black, Joshua A. and Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331
2018.
Statistical analysis of activation and reaction energies with quasi-variational coupled-cluster theory.
Molecular Physics
116
(11)
, pp. 1421-1427.
10.1080/00268976.2017.1400698
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Black, Joshua A. and Knowles, Peter J. ORCID: https://orcid.org/0000-0003-4657-6331
2018.
Quasi-variational coupled-cluster theory: Performance of perturbative treatments of connected triple excitations.
Journal of Chemical Physics
148
(19)
, -.
10.1063/1.5006037
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Black, Joshua
2017.
Development and applications of
Quasi-Variational Coupled-Cluster theory.
PhD Thesis,
Cardiff University.
Item availability restricted. |
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