List of works - Joseph McDouall

A QM/MM study of fluoroaromatic interactions at the binding site of carbonic anhydrase II, using a DFT method corrected for dispersive interactions.

scientific article published on 7 February 2008

An Approach to the Synthesis of Functionalized Polycyclic Aromatic Hydrocarbons.

scientific article

An orthogonal C-H borylation--cross-coupling strategy for the preparation of tetrasubstituted "A2B2"-chrysene derivatives with tuneable photophysical properties

scientific article published in April 2015

Benzodifurantrione: a stable phenylogous enol.

scientific article published in February 2010

Binding CO2 by a Cr8 Metallacrown.

scientific article published on 13 April 2017

Biocatalytic Dynamic Kinetic Resolution for the Synthesis of Atropisomeric Biaryl N-Oxide Lewis Base Catalysts.

scientific article published on 9 August 2016

Biocatalytic desymmetrization of an atropisomer with both an enantioselective oxidase and ketoreductases.

scientific article published on September 2010

C-H Borylation/Cross-Coupling Forms Twisted Donor-Acceptor Compounds Exhibiting Donor-Dependent Delayed Emission

scientific article published on 25 June 2018

CASCI Reference Wave Functions for Multireference Perturbation Theory Built from Hartree-Fock or Kohn-Sham Orbitals

scientific article published on 01 July 2007

Computational investigation of hole mobilities in organic semiconductors: comparison of single crystal structures and surface adsorbed clusters

scientific article published on 15 October 2014

Controlling axial conformation in 2-arylpyridines and 1-arylisoquinolines: application to the asymmetric synthesis of QUINAP by dynamic thermodynamic resolution.

scientific article published in April 2009

Copper-Catalyzed Borylative Cross-Coupling of Allenes and Imines: Selective Three-Component Assembly of Branched Homoallyl Amines

scientific article published on 3 December 2015

Dihydrothiophenes containing quaternary stereogenic centres by sequential stereospecific rearrangements and ring-closing metathesis

scientific article published on 01 June 2014

Electronic and Magnetic Properties of Kremer's tris-Hydroxo Bridged Chromium Dimer: A Challenge for DFT

scientific article published on 05 October 2012

Electronic g Tensors in UV Complexes-A Computational Study.

scientific article published on 19 April 2017

Enantioselective cyclizations and cyclization cascades of samarium ketyl radicals

scientific article published on 7 August 2017

Experimental observation of spin delocalisation onto the aryl-alkynyl ligand in the complexes [Mo(C≡CAr)(Ph2PCH2CH2PPh2)(η-C7H7)]+ (Ar = C6H5, C6H4-4-F; C7H7 = cycloheptatrienyl): an EPR and ENDOR investigation.

scientific article published on 27 October 2010

Influence of the N-Bridging Ligand on Magnetic Relaxation in an Organometallic Dysprosium Single-Molecule Magnet

article by Richard A. Layfield et al published 19 April 2010 in Chemistry—A European Journal

Organic photovoltaics and energy: general discussion

Potential energy surfaces of cycloaddition reactions

Radical Anions from Urea-type Carbonyls: Radical Cyclizations and Cyclization Cascades.

scientific article published in March 2018

Simplified reference wave functions for multireference perturbation theory.