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Ian Hillier

Affiliations:	1960-1964	Chemistry	Imperial College London, London, England, United Kingdom
	1964-1966	Chemistry	University of Chicago, Chicago, IL
	1966-	Chemistry	University of Manchester, Manchester, England, United Kingdom

Area:

computational chemistry

Website:

https://www.manchester.ac.uk/research/Ian.Hillier/

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Mean distance: 9.32

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Parents

Manfred Gordon	grad student	1960-1964	Imperial College London
Stuart A. Rice	post-doc	1964-1966	Chicago

Children

Mahesh Sundararajan	grad student	2005	University of Manchester,UK
Rajeev Assary	grad student	2000-2005	University of Manchester
Michael B. Hall	post-doc	1975	University of Manchester

Collaborators

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Publications

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Sundararajan M, Hillier IH. (2013) [Fe]-, [Ni-Fe]-, and [Fe-Fe]-Hydrogenases Comprehensive Inorganic Chemistry Ii (Second Edition): From Elements to Applications. 9: 551-567
Sundararajan M, Assary RS, Hillier IH, et al. (2011) The mechanism of the reduction of [AnO2]2+ (An = U, Np, Pu) in aqueous solution, and by Fe(II) containing proteins and mineral surfaces, probed by DFT calculations. Dalton Transactions (Cambridge, England : 2003). 40: 11156-63
Sundararajan M, Campbell AJ, Hillier IH. (2011) How do enzymes reduce metals? The mechanism of the reduction of Cr(VI) in chromate by cytochrome c7 proteins proposed from DFT calculations. Faraday Discussions. 148: 195-205; discussion
Austin JP, Sundararajan M, Vincent MA, et al. (2009) The geometric structures, vibrational frequencies and redox properties of the actinyl coordination complexes ([AnO2(L)n](m); An = U, Pu, Np; L = H2O, Cl-, CO3(2-), CH3CO2(-), OH-) in aqueous solution, studied by density functional theory methods. Dalton Transactions (Cambridge, England : 2003). 5902-9
Austin JP, Burton NA, Hillier IH, et al. (2009) Which density functional should be used to study actinyl complexes? Physical Chemistry Chemical Physics : Pccp. 11: 1143-5
Jayapal P, Sundararajan M, Hillier IH, et al. (2008) QM/MM studies of Ni-Fe hydrogenases: the effect of enzyme environment on the structure and energies of the inactive and active states. Physical Chemistry Chemical Physics : Pccp. 10: 4249-57
Sundararajan M, Campbell AJ, Hillier IH. (2008) Catalytic cycles for the reduction of [UO2]2+ by cytochrome c7 proteins proposed from DFT calculations. The Journal of Physical Chemistry. A. 112: 4451-7
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
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
Sundararajan M, Hillier IH, Burton NA. (2007) Mechanism of nitrite reduction at T2Cu centers: electronic structure calculations of catalysis by copper nitrite reductase and by synthetic model compounds. The Journal of Physical Chemistry. B. 111: 5511-7

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