about
Osmium Atoms and Os2 Molecules Move Faster on Selenium-Doped Compared to Sulfur-Doped Boronic Graphenic SurfacesRuthenium(II) arene anticancer complexes with redox-active diamine ligands.Solid-state interconversions: unique 100 % reversible transformations between the ground and metastable states in single-crystals of a series of nickel(II) nitro complexesControlling ligand substitution reactions of organometallic complexes: tuning cancer cell cytotoxicity.Ring Closure To Form Metal Chelates in 3D Fragment-Based de Novo Design.Molecular modeling of zinc paddlewheel molecular complexes and the pores of a flexible metal organic framework."Head-to-head" double-hamburger-like structure of di-ruthenated d(GpG) adducts of mono-functional Ru-arene anticancer complexes.Bipyrimidine ruthenium(II) arene complexes: structure, reactivity and cytotoxicity.A Unified Treatment of the Relationship Between Ligand Substituents and Spin State in a Family of Iron(II) Complexes.Amide linkage isomerism as an activity switch for organometallic osmium and ruthenium anticancer complexes.Synthesis, characterization, and reaction pathways for the formation of a GMP adduct of a cytotoxic thiocyanato ruthenium arene complex.The contrasting chemistry and cancer cell cytotoxicity of bipyridine and bipyridinediol ruthenium(II) arene complexes.Capturing the Trans Influence in Low-Spin d(8) Square-Planar Platinum(II) Systems using Molecular Mechanics.Reduction of quinones by NADH catalyzed by organoiridium complexes.Synthesis, characterisation and photochemistry of Pt(IV) pyridyl azido acetato complexes.Bidentate carbenoid ester coordination in ruthenium(II) Schiff-base complexes leading to excellent levels of diastereo- and enantioselectivity in catalytic alkene cyclopropanation.A density functional study of oxygen atom transfer reactions between biological oxygen atom donors and molybdenum(IV) bis(dithiolene) complexes.Ligand field stabilization and activation energies revisited: molecular modeling of the thermodynamic and kinetic properties of divalent, first-row aqua complexes.The performance of nonhybrid density functionals for calculating the structures and spin states of Fe(II) and Fe(III) complexes.Aminooxazolinate; a chiral amidinate analogue.Chiral metal architectures in aminopyridinato complexes of zirconium.Ligand field torque: a pi-type electronic driving force for determining ligand rotational preferences.Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins.Apparent non-statistical binding in a ditopic receptor for guanosine.Modeling of the various minima on the potential energy surface of bispidine copper(II) complexes: a further test for ligand field molecular mechanics.General molecular mechanics method for transition metal carboxylates and its application to the multiple coordination modes in mono- and dinuclear Mn(II) complexes.Constrained geometry aminooxazolinate ligands giving chiral zirconium guanidinates; catalytic cyclohydroamination.On the performance of ligand field molecular mechanics for model complexes containing the peroxido-bridged [Cu2O2]2+ center.Molecular modelling for coordination compounds: Cu(II)-amine complexes.Discovery of a new peptide natural product by Streptomyces coelicolor genome mining.Molecular modelling of Jahn-Teller distortions in Cu(II)N6 complexes: elongations, compressions and the pathways in between.A computational approach to tuning the photochemistry of platinum(IV) anticancer agents.Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes.DFT Analysis of Spin Crossover in Mn(III) Complexes: Is a Two-Electron S = 2 to S = 0 Spin Transition Feasible?Spin Crossover in a Hexaamineiron(II) Complex: Experimental Confirmation of a Computational Prediction.Extending ligand field molecular mechanics to modelling organometallic π-bonded systems: applications to ruthenium-arenes.First principles calculation of a large variation in dielectric tensor through the spin crossover in the CsFe[Cr(CN)₆] Prussian blue analogue.Thermochromic organometallic complexes: experimental and theoretical studies of 16- to 18-electron interconversions of adducts of arene Ru(II) carboranes with aromatic amine ligands.A test of ligand field molecular mechanics as an efficient alternative to QM/MM for modelling metalloproteins: the structures of oxidised type I copper centres.Bonding, structure, and energetics of gaseous E8(2+) and of solid E8(AsF6)2 (E = S, Se).
P50
Q30669787-D8208A73-2AC2-4E95-940C-C9F6DB21651BQ33506718-3B85A358-301E-403A-98E9-AB80A6D33B90Q34182246-6AFB008C-E9BD-4B60-9491-8088140A4282Q34234520-B0FCB86B-8B91-4728-B76F-82C4593641EAQ35761028-CDC7EEC2-5B47-4A32-9237-A02A34E2C223Q39012026-D8FBD3FC-824E-4C68-B4F8-E7AA59ABEDAEQ39199644-7602A16D-1BCF-400B-B87E-271AA13ED729Q39315447-DC0186A8-2E70-4B24-A6A7-D3BDE1F45DE7Q39397908-30B83755-58A0-4B29-9BD1-8316248711FDQ39793382-5FC88CEF-EC39-44BE-A73E-FF3861408570Q39842373-0E591FAA-0A5A-4956-97DF-87D91A66F0ACQ39917414-83A96D5B-1BA1-4BB4-956E-4BDCD92750CFQ40264034-4C1521BC-79E2-402A-BA4B-0AEC638BA542Q40917427-7475FA2C-1962-4AB9-948B-5D206ABFE719Q42431255-A4ECFED3-4F68-42F9-94E1-F0C9270E39C4Q44144214-1103B23B-FEAF-4CB0-8AAA-96659F99AA7AQ44241265-DBFA10CB-7C63-401B-8898-736098270309Q44526030-057F47CC-6DD4-4486-AD95-904B81E7A01EQ45076432-BAA95839-0D2C-4C92-9B75-C8792F3290F1Q45150344-8D6EFDD7-C22D-4021-B0F6-6D05C2F134EEQ45159139-9C7A4B5D-40F5-4889-81A2-2EDEE654DEDEQ45923548-B24B3AAD-E4EA-4148-B633-1C2EB32DB585Q45962304-D4A4C50D-16C3-4DED-B375-D44C83BF0C41Q46022579-51C31EED-06DC-477B-A770-4954203D0F10Q46351638-15F34D66-2B49-4325-BDC9-8581681F9C5DQ46505133-C21591B5-A66E-47F3-BFB8-D494DBA52C85Q46584637-244655BE-EE69-46D6-A21D-5B88E097F924Q46738662-EEE5F4A8-4E8D-4C7F-8D3D-7C024397F009Q46782266-EEB7A3E7-F1C3-4A98-A366-0F306A995081Q46891015-5C2179B8-1663-4F0B-8F9C-BA2394AD455CQ46941486-07880B19-34A4-4F8F-A2CF-62EF5F2C9F89Q47373953-6D836EB7-E7F5-4EF2-BFAD-AC54A7F752D2Q48049647-BE27C6A6-27FE-4341-9705-C6E51D95EFCCQ48252967-28082F02-A993-4F67-ACCC-DE4DC5F7FE5AQ48281750-D6246603-826A-4973-9E1A-39B63A130896Q50064616-8F184F36-68E5-42D7-AAA9-3E174060E1E7Q50223552-5B764B54-FE43-4F3E-AD23-3055EB78028DQ50238728-48C5B73D-D068-4B7F-B1A7-2A85123B2116Q50478811-1090C6E4-E1E0-4410-BDB2-238E3A3CFF32Q50507320-4771377D-F76D-4705-9A38-CA5A16FDECFC
P50
description
hulumtues
@sq
researcher
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wetenschapper
@nl
հետազոտող
@hy
name
Robert J Deeth
@ast
Robert J Deeth
@en
Robert J Deeth
@es
Robert J Deeth
@nl
Robert J Deeth
@sl
type
label
Robert J Deeth
@ast
Robert J Deeth
@en
Robert J Deeth
@es
Robert J Deeth
@nl
Robert J Deeth
@sl
altLabel
Rob
@en
prefLabel
Robert J Deeth
@ast
Robert J Deeth
@en
Robert J Deeth
@es
Robert J Deeth
@nl
Robert J Deeth
@sl
P1053
B-8641-2009
P106
P21
P31
P3829
P496
0000-0001-7933-4406