Joseph J W McDouall, Ph.D
Affiliations: | 1987-1989 | Wayne State University, Detroit, MI, United States | |
| 1989- | Chemistry | University of Manchester, Manchester, England, United Kingdom |
Area:
Computational and theoretical chemistryWebsite:
http://www.manchester.ac.uk/research/joe.mcdouall/personaldetailsGoogle:
"Joseph McDouall"Mean distance: 10.67
BETA: Related publications
See more...
Publications
|
You can help our author matching system! If you notice any publications incorrectly attributed to this author, please sign in and mark matches as correct or incorrect. |
| Batchelor LJ, Fitzgerald E, Wolowska J, et al. (2010) Tripodal thiols as ligands for molecular magnets: very strong antiferromagnetic exchange interactions in vanadium(III) clusters. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 11082-8 |
| Lawrence AJ, Hutchings MG, Kennedy AR, et al. (2010) Benzodifurantrione: a stable phenylogous enol. The Journal of Organic Chemistry. 75: 690-701 |
| Kanibolotsky AL, Forgie JC, McEntee GJ, et al. (2009) Controlling the conformational changes in donor-acceptor [4]-dendralenes through intramolecular charge-transfer processes. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 11581-93 |
| Jayapal P, Robinson D, Sundararajan M, et al. (2008) High level ab initio and DFT calculations of models of the catalytically active Ni-Fe hydrogenases. Physical Chemistry Chemical Physics : Pccp. 10: 1734-8 |
| Robinson D, McDouall JJ. (2007) CASCI Reference Wave Functions for Multireference Perturbation Theory Built from Hartree-Fock or Kohn-Sham Orbitals. Journal of Chemical Theory and Computation. 3: 1306-11 |
| Robinson D, McDouall JJ. (2007) Simplified reference wave functions for multireference perturbation theory. The Journal of Physical Chemistry. A. 111: 9815-22 |
| Periyasamy G, Sundararajan M, Hillier IH, et al. (2007) The binding of nitric oxide at the Cu(i) site of copper nitrite reductase and of inorganic models: DFT calculations of the energetics and EPR parameters of side-on and end-on structures. Physical Chemistry Chemical Physics : Pccp. 9: 2498-506 |
| Cravino A, Neugebauer H, Petr A, et al. (2006) Spectroelectrochemistry of poly(ethylenedithiathiophene)--the sulfur analogue of poly(ethylenedioxythiophene). The Journal of Physical Chemistry. B. 110: 2662-7 |
| Christian P, Rajaraman G, Harrison A, et al. (2004) Synthesis and studies of a trinuclear Mn(II) carboxylate complex. Dalton Transactions (Cambridge, England : 2003). 2550-5 |
| McDouall JJ, Robb M. (1987) The transformation of CAS SCF wavefunctions to valence bond space Chemical Physics Letters. 142: 131-135 |