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Physical Chemistry Chemical Physics : PCCP|November 1, 2021
Electrostatic effects in N-heterocyclic carbene catalysis: revealing the nature of catalysed decarboxylationZhipeng Pei, Qinyu Qiao, Cunxi Gong, et al.The Journal of Physical Chemistry. A|December 5, 2008
First-principles prediction of rate coefficients for free-radical cyclization reactions at seleniumSofia Lobachevsky, Carl H Schiesser, Ching Yeh Lin, et al.Journal of Chemical Theory and Computation|December 2, 2015
Nature of Glycine and Its α-Carbon Radical in Aqueous Solution: A Theoretical InvestigationGeoffrey P F Wood, Mark S Gordon, Leo Radom, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 28, 2009
On the reaction of glycerol dehydratase with but-3-ene-1,2-diolGregory M Sandala, Borislav Kovacević, Danijela Barić, et al.Proceedings of the National Academy of Sciences of the United States of America|May 31, 2008
Lithium monoxide anion: a ground-state triplet with the strongest base to dateZhixin Tian, Bun Chan, Michael B Sullivan, et al.The Journal of Physical Chemistry. A|October 12, 2016
Role of Hydrogen Bonding on the Reactivity of Thiyl Radicals: A Mass Spectrometric and Computational Study Using the Distonic Radical Ion ApproachSandra Osburn, Bun Chan, Victor Ryzhov, et al.Journal of the American Chemical Society|January 26, 2007
Toward an improved understanding of the glutamate mutase systemGregory M Sandala, David M Smith, E Neil G Marsh, et al.Journal of Chemical Theory and Computation|November 21, 2015
Performance of Density Functional Theory Procedures for the Calculation of Proton-Exchange Barriers: Unusual Behavior of M06-Type FunctionalsBun Chan, Andrew T B Gilbert, Peter M W Gill, et al.Chemistry, an Asian Journal|February 3, 2016
Beyond the Halogen Bond: Examining the Limits of Extended Polybromide Networks through Quantum-Chemical InvestigationsMax E Easton, Bun Chan, Anthony F Masters, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|July 25, 2009
On the importance of ribose orientation in the substrate activation of the coenzyme B12-dependent mutasesBo Durbeej, Gregory M Sandala, Denis Bucher, et al.Pageof 30