Joseph McDouall
The University of Manchester
101 papers found
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Potential for water catalysis in flavin-mediated hydroxylation. A theoretical study
Download from www.researchgate.netTheoretical study of oxygen atom transfer. The role of electron correlation
Download from www.researchgate.netA simple MC SCF perturbation theory: Orthogonal valence bond Møller-Plesset 2 (OVB MP2)
UploadThe diabatic surface method: A model for chemical reactivity
UploadPotential energy surfaces of cycloaddition reactions
UploadThe transformation of CAS SCF wavefunctions to valence bond space
UploadAn intrinsic localization procedure for active CAS SCF orbitals
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