On the inclusion of post-MP2 contributions to double-Hybrid density functionals

traction from a model amino acid: Dependence on the attacking radical. The Journal of Physical Chemistry Part B, 119(3), 783-788. <a href="http://dx.doi.org/10.1021/jp505217q">[More Information]</a> Chan, B., Easton, C., Radom, L. (2015). Outcome-changing f polarity reversal in hydrogen-atom-abstraction reactions. The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, 119(16), 3843-3847. <a href="http://dx.doi.org/10.1021/acs.jpca.5b01890">[More Information]</a> Mitchell, N., Malins, L., Liu, X., Thompson, R., Chan, B., Radom, L., Payne, R. (2015). Rapid additive-free selenocystineselenoester peptide ligation. Journal of the American Chemical Society, 137(44), 14011-14014. <a href="http://dx.doi.org/10.1021/jacs.5b07237">[More Information]</a> Chan, B., Radom, L. (2015). W2X and W3X-L: Cost-effective approximations to W2 and W4 and kJ mol-1 accuracy. Journal of Chemic...

• Type: Journal
• Year: 2016
• Where: JCC
• Authors: Bun Chan, Lars Goerigk, Leo Radom
• Keywords: Algorithms, JCC 2016