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The Journal of Chemical Physics|June 7, 2011
Reduced dimensionality spin-orbit dynamics of CH3 + HCl ⇌ CH4 + Cl on ab initio surfacesSarah M Remmert, Simon T Banks, Jeremy N Harvey, et al.Nature Chemistry|October 26, 2011
Ultrafast energy flow in the wake of solution-phase bimolecular reactionsDavid R Glowacki, Rebecca A Rose, Stuart J Greaves, et al.Organometallics|May 5, 2020
Oxidative Addition of Aryl Halides to a Triphosphine Ni(0) Center to Form Pentacoordinate Ni(II) Aryl SpeciesPablo M Pérez García, Andrea Darù, Arthur R Scheerder, et al.Journal of the Royal Society, Interface|September 11, 2008
Analysis of polarization in QM/MM modelling of biologically relevant hydrogen bondsKittusamy Senthilkumar, Jon I Mujika, Kara E Ranaghan, et al.Biochemistry|December 18, 2013
Role of active site residues in promoting cobalt-carbon bond homolysis in adenosylcobalamin-dependent mutases revealed through experiment and computationGabriel D Román-Meléndez, Patrick von Glehn, Jeremy N Harvey, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 10, 2005
Development of a ligand knowledge base, part 1: computational descriptors for phosphorus donor ligandsNatalie Fey, Athanassios C Tsipis, Stephanie E Harris, et al.Journal of the American Chemical Society|July 8, 2016
Development of Enantiospecific Coupling of Secondary and Tertiary Boronic Esters with Aromatic CompoundsMarcin Odachowski, Amadeu Bonet, Stephanie Essafi, et al.Nanoscale|December 22, 2017
Computational insight into the origin of unexpected contrast in chiral markers as revealed by STMAna Sanz-Matías, Oleksandr Ivasenko, Yuan Fang, et al.Protein Science : a Publication of the Protein Society|November 12, 2022
Stability profile of vimentin rod domainAnastasia V Lilina, Simon Leekens, Hani M Hashim, et al.Journal of the American Chemical Society|December 12, 2002
Mechanism of the hydrogenation of ketones catalyzed by trans-dihydrido(diamine)ruthenium II complexesKamaluddin Abdur-Rashid, Sean E Clapham, Alen Hadzovic, et al.Pageof 19