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Journal of Molecular Graphics & Modelling|July 8, 2014
Trends in predicted chemoselectivity of cytochrome P450 oxidation: B3LYP barrier heights for epoxidation and hydroxylation reactionsPatrik Rydberg, Richard Lonsdale, Jeremy N Harvey, et al.
Physical Chemistry Chemical Physics : PCCP|August 10, 2007
Is hydrogen abstraction an important pathway in the reaction of alkenes with the OH radical?Max R McGillen, Carl J Percival, Dudley E Shallcross, et al.
Dalton Transactions (Cambridge, England : 2003)|August 19, 2017
The ligand effect on the oxidative addition of dioxygen to gold(i)-hydride complexesCarlo Alberto Gaggioli, Leonardo Belpassi, Francesco Tarantelli, et al.
Journal of the American Chemical Society|June 1, 2010
Can (pi)6 + (pi)4 = 10? Exploring cycloaddition routes to highly unsaturated 10-membered ringsRoger W Alder, Jeremy N Harvey, Guy C Lloyd-Jones, et al.
Angewandte Chemie (International Ed. in English)|May 2, 2018
A Gas-Phase Model for the Pt+ -Catalyzed Coupling of Methane and AmmoniaMassimiliano Aschi, Mark Brönstrup, Martin Diefenbach, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 7, 2022
The Mechanism of Biochemical NO-Sensing: Insights from Computational ChemistryAhmed M Rozza, Marcell Papp, Neil R McFarlane, et al.
Dalton Transactions (Cambridge, England : 2003)|August 20, 2011
Organometallic reactivity: the role of metal-ligand bond energies from a computational perspectiveNatalie Fey, Benjamin M Ridgway, Jesús Jover, et al.
Dalton Transactions (Cambridge, England : 2003)|June 25, 2016
The influence of the ligand chelate effect on iron-amine-catalysed Kumada cross-couplingRobin B Bedford, Peter B Brenner, David Elorriaga, et al.
Chemical Research in Toxicology|April 12, 2016
Quantum Mechanics/Molecular Mechanics Modeling of Drug Metabolism: Mexiletine N-Hydroxylation by Cytochrome P450 1A2Richard Lonsdale, Rachel M Fort, Patrik Rydberg, et al.
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