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|Title:||Consequences of Spin Contamination in Unrestricted Calculations on Open-Shell Species: Effect of Hartree-Fock and Møller-Plesset Contributions in Hybrid and Double-Hybrid Density Functional Theory Approaches|
|Publisher:||American Chemical Society|
|Citation:||Consequences of Spin Contamination in Unrestricted Calculations on Open-Shell Species: Effect of Hartree-Fock and Møller-Plesset Contributions in Hybrid and Double-Hybrid Density Functional Theory Approaches, The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, vol.112, 50, 2008,pp 13225-13230|
|Disclaimer:||This work has been made available to the staff and students of the University of Sydney for the purposes of research and study only. It constitutes material that is held by the University for the purposes of reporting for HERDC and the ERA. This work may not be downloaded, copied and distributed to any third party .|
|Type:||C1 - Refereed Journal articles|
|Appears in Collections:||University of Sydney Research Outputs|
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