Paul C. Yates, PhD

Keele University Keele University, Keele, England, United Kingdom 
computational chemistry
"Paul Yates"
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Fey N, Howell JA, Lovatt JD, et al. (2006) A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines. Dalton Transactions (Cambridge, England : 2003). 5464-75
Fey N, Howell JAS, Lovatt JD, et al. (2006) A molecular mechanics approach to mapping the conformational space of diaryl and triarylphosphines Dalton Transactions. 5464-5475
Howell JAS, Yates PC, Fey N, et al. (2002) Molecular mechanics analysis of structure and diastereoselectivity toward lithiation in amido- and α-aminoferrocene complexes Organometallics. 21: 5272-5286
Morrison CA, Bone SF, Rankin DWH, et al. (2001) Conformational properties of substituted ferrocenes: Experimental and theoretical studies of the molecular structures of 1,1′-di-tert-butylferrocene and isopropylferrocene Organometallics. 20: 2309-2320
Howell JAS, Fey N, Lovatt JD, et al. (1999) Effect of fluorine and trifluoromethyl substitution on the donor properties and stereodynamical behaviour of triarylphosphines Journal of the Chemical Society - Dalton Transactions. 3015-3028
Howell JAS, Yates PC, Ashford NF, et al. (1996) Kinetics and mechanism of ligand substitution in [Cr(π-ligand)(CO)3] complexes (ligand = naphthalene, pyrene, thiophene, 2,6-dimethylpyridine, or cycloheptatriene) and of fac/mer isomerization in [M(CO)3L3](M = Cr, Mo or W; L = phosphite, phosphine or isocyanide) Journal of the Chemical Society-Dalton Transactions. 3959-3966
Yates PC, Richardson CM. (1996) Molecular mechanics calculations on macrocyclic compounds: Conformational studies of cyclododecane and related crown compounds Journal of Molecular Structure: Theochem. 363: 17-22
Yates PC, Neal T. (1995) Theoretical studies of anti-HIV 1H,3H-thiazolo[3,4-a]benzimidazoles Journal of Molecular Structure: Theochem. 334: 187-192
Howell JAS, O'Leary PJ, Yates PC, et al. (1995) Acyclic O- and N-substituted pentadienyl cations: Structural characterisation, cyclisation and computational results Tetrahedron. 51: 7231-7246
Yates PC. (1994) Use of the MM2 force field to model palladium complexes with nitrogen-containing aromatic ligands Journal of Molecular Structure: Theochem. 303: 55-64
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