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Journal of Chemical Theory and Computation|October 12, 2017
Quantum Chemistry in Dataflow: Density-Fitting MP2Bridgette Cooper, Stephen Girdlestone, Pavel Burovskiy, et al.The Journal of Chemical Physics|August 10, 2015
Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte CarloRobert E Thomas, Daniel Opalka, Catherine Overy, et al.The Journal of Physical Chemistry. A|December 4, 2018
An Extended Computational Study of Criegee Intermediate-Alcohol ReactionsNathan A I Watson, Joshua A Black, Thomas M Stonelake, et al.The Biochemical Journal|April 5, 2019
Novel long-chain neurotoxins from Bungarus candidus distinguish the two binding sites in muscle-type nicotinic acetylcholine receptorsYuri N Utkin, Ulrich Kuch, Igor E Kasheverov, et al.Science (New York, N.Y.)|January 25, 2003
High-accuracy ab initio rotation-vibration transitions for waterOleg L Polyansky, Attila G Császár, Sergei V Shirin, et al.Pageof 12