The Library
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Number of items: 39.
Liu, Zhe (Researcher in chemistry), Deeth, Robert J., Butler, J. S. (Jennifer S.), Habtemariam, Abraha, Newton, Mark E. and Sadler, P. J.. (2013) Reduction of quinones by NADH catalyzed by organoiridium complexes. Angewandte Chemie International Edition, Volume 52 (Number 15). pp. 4194-4197. ISSN 1433-7851
Betanzos-Lara, Soledad, Novakova, Olga, Deeth, Robert J., Pizarro, Ana M., Clarkson, Guy J., Liskova, Barbora, Brabec, Viktor, Sadler, P. J. and Habtemariam, Abraha. (2012) Bipyrimidine ruthenium(II) arene complexes : structure, reactivity and cytotoxicity. JBIC Journal of Biological Inorganic Chemistry, Vol.17 (No.7). pp. 1033-1051. ISSN 0949-8257
Soldevila-Barreda, Joan J., Bruijnincx, Pieter C. A., Habtemariam, Abraha, Clarkson, Guy J., Deeth, Robert J. and Sadler, P. J.. (2012) Improved catalytic activity of ruthenium–arene complexes in the reduction of NAD+. Organometallics, Vol.31 (No.16). pp. 5958-5967. ISSN 0276-7333
Tai, Hui-Chung, Brodbeck, Ralf, Kasparkova, Jana, Farrer, Nicola J., Brabec, Viktor, Sadler, P. J. and Deeth, Robert J.. (2012) Combined theoretical and computational study of interstrand DNA guanine–guanine cross-linking bytrans-[Pt(pyridine)2] derived from the photoactivated prodrugtrans,trans,trans-[Pt(N3)2(OH)2(pyridine)2]. Inorganic Chemistry, Vol.51 (No.12). pp. 6830-6841. ISSN 0020-1669
Howson, Suzanne E., Chmel, Nikola Paul, Clarkson, Guy J., Deeth, Robert J., Simpson, D. H. (Daniel H.) and Scott, Peter, 1965 Dec. 10-. (2012) Jahn–Teller effects on π-stacking and stereoselectivity in the phenylethaniminopyridine tris-chelates Cu(NN′)32+. Dalton Transactions, Vol.41 (No.15). pp. 4477-4483. ISSN 1477-9226
Rayner, Georgina, Smith, Timothy, Barton, William, Newton, Mark E., Deeth, Robert J., Prokes, Ivan, Clarkson, Guy J. and Haddleton, David M.. (2012) A comparison of verdazyl radicals modified at the 3-position as mediators in the living radical polymerisation of styrene and n-butyl acrylate. Polymer Chemistry, Vol.3 (No.8). pp. 2254-2260. ISSN 1759-9954
Tai, Hui-Chung, Zhao, Y., Farrer, Nicola J., Anastasi, Anna E., Clarkson, Guy J., Sadler, P. J. and Deeth, Robert J.. (2012) A computational approach to tuning the photochemistry of platinum(IV) anticancer agents. Chemistry - A European Journal, Vol.18 (No.34). pp. 10630-10642. ISSN 0947-6539
Handley, Christopher M. and Deeth, Robert J.. (2012) A multi-objective approach to force field optimization : structures and spin state energetics of d6Fe(II)complexes. Journal of Chemical Theory and Computation, Vol.8 (No.1). pp. 194-202. ISSN 1549-9618
Brodbeck, Ralf and Deeth, Robert J.. (2011) Extending ligand field molecular mechanics to modelling organometallic π-bonded systems : applications to ruthenium–arenes. Dalton Transactions, Vol.40 (No.42). pp. 11147-11155. ISSN 1477-9226
Howson, Suzanne E., Allan, Laura E. N., Chmel, Nikola Paul, Clarkson, Guy J., Deeth, Robert J., Faulkner, Alan D., Simpson, D. H. (Daniel H.) and Scott, Peter, 1965 Dec. 10-. (2011) Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN′)3n+ (M = Mn, Fe, Co, Ni and Zn). Dalton Transactions, Vol.40 (No.40). pp. 10416-10433. ISSN 1477-9226
Howson, Suzanne E., Allan, Laura E. N., Chmel, Nikola P., Clarkson, Guy J., Deeth, Robert J., Faulkner, Alan D., Simpson, Daniel H. and Scott, Peter. (2011) Origins of stereoselectivity in optically pure phenylethaniminopyridine tris-chelates M(NN′)3n+ (M = Mn, Fe, Co, Ni and Zn). Dalton Transactions, Vol.40 (No.40). pp. 10416-10433. ISSN 1477-9226
Thomas, Helen R., Deeth, Robert J., Clarkson, Guy J. and Rourke, Jonathan P.. (2011) Palladium(II) agostic complex : exchange of Aryl–Pd and Alkyl–Pd bonds. Organometallics, Vol.30 (No.21). pp. 5641-5648. ISSN 0276-7333
Crosby, Sarah H., Deeth, Robert J., Clarkson, Guy J. and Rourke, Jonathan P.. (2011) Platinum(iv) centres with agostic interactions from either sp2 or sp3 C–H bonds. Dalton Transactions, Vol.40 (No.6). pp. 1227-1229. ISSN 1477-9226
Harvey, Jeremy, Butt, Julea, Deeth, Robert J., McMaster, Jonathan and Thomson, Andrew (2011) Preface. Faraday Discussions, Vol.148 . p. 9. ISSN 0301-7249
Deeth, Robert J., Anastasi, Anna E. and Wilcockson, Martin J.. (2010) An in silico design tool for Fe(II) spin crossover and light-induced excited spin state-trapped complexes. Journal of the American Chemical Society, Vol.132 (No.20). pp. 6876-6877. ISSN 0002-7863
Crosby, Sarah H., Clarkson, Guy J., Deeth, Robert J. and Rourke, Jonathan P.. (2010) Platinum(IV) DMSO complexes : synthesis, isomerization, and agostic intermediates. Organometallics, Vol.29 (No.8). pp. 1966-1976. ISSN 0276-7333
Deeth, Robert J. and Diedrich, Christian. (2010) Structural and mechanistic insights into the oxy form of tyrosinase from molecular dynamics simulations. Journal of Biological Inorganic Chemistry, Vol.15 (No.2). pp. 117-129. ISSN 0949-8257
Deeth, Robert J. (2010) Molecular mechanics for transition metal centers : from coordination complexes to metalloproteins. In: Eldik, Rudi van and Harvey, Jeremy, (eds.) Theoretical and computational inorganic chemistry. Advances in inorganic chemistry, Vol.62 . London: Academic Press, pp. 1-39.
Deeth, Robert J. (2010) Molecular modelling for systems containing transition metal centres. In: Comba, Peter, (ed.) Structure and function. Dordrecht ; London: Springer, pp. 21-51. ISBN 9789048128877
van Rijt, Sabine H., Hebden, Andrew J., Amaresekera, Thakshila, Deeth, Robert J., Clarkson, Guy J., Parsons, S. (Simon), McGowan, Patrick C. and Sadler, P. J.. (2009) Amide linkage isomerism as an activity switch for organometallic osmium and ruthenium anticancer complexes. Journal of Medicinal Chemistry, Vol.52 (No.23). pp. 7753-7764. ISSN 0022-2623
Bugarcic, Tijana, Habtemariam, Abraha, Deeth, Robert J., Fabbiani, Francesca P. A., Parsons, S. (Simon) and Sadler, P. J.. (2009) Ruthenium(II) arene anticancer complexes with redox-active diamine ligands. Inorganic Chemistry, Vol.48 (No.19). pp. 9444-9453. ISSN 0020-1669
Anastasi, Anna E. and Deeth, Robert J.. (2009) Capturing the trans influence in low-spin d(8) square-planar platinum(II) systems using molecular mechanics. Journal Of Chemical Theory and Computation, Vol.5 (No.9). pp. 2339-2352. ISSN 1549-9618
Mackay, Fiona S., Farrer, Nicola J., Salassa, Luca, Tai, Hui-Chung, Deeth, Robert J., Moggach, Stephen A., Wood, P. A. (Peter A.), Parsons, S. (Simon) and Sadler, P. J.. (2009) Synthesis, characterisation and photochemistry of PtIV pyridyl azido acetato complexes. Dalton Transactions, Vol.13 . pp. 2315-2325. ISSN 1477-9226
Wang, Fuyi, Habtemariam, Abraha, van der Geer, Erwin P. L., Deeth, Robert J., Gould, Robert O., Parsons, Simon and Sadler, P. J.. (2009) Synthesis, characterization, and reaction pathways for the formation of a GMP adduct of a cytotoxic thiocyanato ruthenium arene complex. Journal of Biological Inorganic Chemistry, Vol.14 (No.7). pp. 1065-1076. ISSN 0949-8257
Deeth, Robert J., Anastasi, Anna E., Diedrich, Christian and Randell, Kris (2009) Molecular modelling for transition metal complexes : dealing with d-electron effects. Coordination Chemistry Reviews, Vol.253 (No.5-6, Sp.Iss.SI). pp. 795-816. ISSN 0010-8545
Likhitsup, Asawin, Deeth, Robert J., Otto, Sijbren and Marsh, Andrew. (2009) Apparent non-statistical binding in a ditopic receptor for guanosine. Organic & Biomolecular Chemistry, Vol.7 (No.10). pp. 2093-2103. ISSN 1477-0520
Brown, John M. and Deeth, Robert J.. (2009) Is enantioselectivity predictable in asymmetric catalysis? Angewandte Chemie International Edition, Vol.48 (No.25). pp. 4476-4479. ISSN 1433-7851
Deeth, Robert J., Anastasi, Anna E. and Randell, Kris. (2009) Ligand field torque : a pi-type electronic driving force for determining ligand rotational preferences. Dalton Transactions (No.30). pp. 6007-6012. ISSN 1477-9226
Mackay, Fiona S., Farrer, Nicola J., Salassa, Luca, Tai, Hui-Chung, Deeth, Robert J., Moggach, Stephen A., Wood, P. A. (Peter A.), Parsons, S. (Simon) and Sadler, P. J.. (2009) Synthesis, characterisation and photochemistry of Pt-IV pyridyl azido acetato complexes. Dalton Transactions (No.13). pp. 2315-2325. ISSN 1477-9226
Bugarcic, Tijana, Habtemariam, Abraha, Stepankova, Jana, Heringova, Pavla, Kasparkova, Jana, Deeth, Robert J., Johnstone, Russell D. L., Prescimone, Alessandro, Parkin, Andrew, Parsons, S. (Simon), Brabec, V. (Viktor) and Sadler, P. J.. (2008) The contrasting chemistry and cancer cell cytotoxicity of bipyridine and bipyridinediol ruthenium(II) arene complexes. Inorganic Chemistry, Vol.47 (No.24). pp. 11470-11486. ISSN 0020-1669
Bentz, Alexander, Comba, Peter, Deeth, Robert J., Kerscher, Marion, Seibold, Bjoern and Wadepohl, Hubert, 1954-. (2008) Modeling of the various minima on the potential energy surface of bispidine copper(II) complexes : a further test for ligand field molecular mechanics. Inorganic Chemistry, Vol.47 (No.20). pp. 9518-9527. ISSN 0020-1669
Deeth, Robert J. and Randell, Kris. (2008) Ligand field stabilization and activation energies revisited : molecular modeling of the thermodynamic and kinetic properties of divalent, first-row aqua complexes. Inorganic Chemistry, Vol.47 (No.16). pp. 7377-7388. ISSN 0020-1669
Deeth, Robert J.. (2008) General molecular mechanics method for transition metal carboxylates and its application to the multiple coordination modes in mono- and dinuclear Mn(II) complexes. Inorganic Chemistry, Vol.47 (No.15). pp. 6711-6725. ISSN 0020-1669
Diedrich, Christian and Deeth, Robert J.. (2008) On the performance of ligand field molecular mechanics for model complexes containing the peroxido-bridged [Cu2O2](2+) center. Inorganic Chemistry, Vol.47 (No.7). pp. 2494-2506. ISSN 0020-1669
Gott, Andrew L., Clarkson, Guy J., Deeth, Robert J., Hammond, Max L., Morton, Colin and Scott, Peter, 1965 Dec. 10-. (2008) Constrained geometry aminooxazolinate ligands giving chiral zirconium guanidinates; catalytic cyclohydroamination. Dalton Transactions (No.22). pp. 2983-2990. ISSN 1477-9226
Newman, Christopher P., Deeth, Robert J., Clarkson, Guy J. and Rourke, Jonathan P.. (2007) Synthesis of mixed NHC/L platinum(II) complexes: Restricted rotation of the NHC group. Organometallics, Vol.26 (No.25). pp. 6225-6233. ISSN 0276-7333
Hocking, Rosalie K., Deeth, Robert J. and Hambley, Trevor W.. (2007) DFT study of the systematic variations in metal-ligand bond lengths of coordination complexes: the crucial role of the condensed phase. Inorganic Chemistry, Vol.46 (No.20). pp. 8238-8244. ISSN 0020-1669
Deeth, Robert J.. (2007) Comprehensive molecular mechanics model for oxidized type I copper proteins : active site structures, strain energies, and entatic bulging. Inorganic Chemistry, Vol.46 (No.11). pp. 4492-4503. ISSN 0020-1669
Deeth, Robert J.. (2006) A theoretical rationale for the formation, structure and spin state of pentacyanochromate(II). EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (13). pp. 2551-2555. ISSN 1434-1948
This list was generated on Wed Jun 19 09:46:56 2013 BST.

