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Robert J Deeth

Showing results (11-20 of 77) with videos related to

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Inorganic Chemistry|February 11, 2017
DFT Analysis of Spin Crossover in Mn(III) Complexes: Is a Two-Electron S = 2 to S = 0 Spin Transition Feasible?Silvia Amabilino, Robert J Deeth
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|August 20, 2009
Structural and mechanistic insights into the oxy form of tyrosinase from molecular dynamics simulationsRobert J Deeth, Christian Diedrich
Journal of Chemical Theory and Computation|December 1, 2015
Capturing the Trans Influence in Low-Spin d(8) Square-Planar Platinum(II) Systems using Molecular MechanicsAnna E Anastasi, Robert J Deeth
Journal of Chemical Theory and Computation|November 24, 2015
A Multi-Objective Approach to Force Field Optimization: Structures and Spin State Energetics of d(6) Fe(II) ComplexesChristopher M Handley, Robert J Deeth
Inorganic Chemistry|September 11, 1996
A Density Functional Study of Active Site Models for Xanthine OxidaseMark R. Bray, Robert J. Deeth
Angewandte Chemie (International Ed. in English)|May 12, 2009
Is enantioselectivity predictable in asymmetric catalysis?John M Brown, Robert J Deeth
The Journal of Chemical Physics|April 17, 2014
First principles calculation of a large variation in dielectric tensor through the spin crossover in the CsFe[Cr(CN)₆] Prussian blue analogueDerek S Middlemiss, Robert J Deeth
Inorganic Chemistry|August 14, 1996
Theoretical Modeling of Water Exchange on [Pd(H(2)O)(4)](2+), [Pt(H(2)O)(4)](2+), and trans-[PtCl(2)(H(2)O)(2)]Robert J. Deeth, Lars I. Elding
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|May 23, 2003
A density functional investigation of the extradiol cleavage mechanism in non-heme iron catechol dioxygenasesRobert J Deeth, Timothy D H Bugg
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 4, 2022
Revisiting the Fundamental Nature of Metal-Ligand Bonding: An Impartial and Automated Fitting Procedure for Angular Overlap Model ParametersMoritz Buchhorn, Robert J Deeth, Vera Krewald
Pageof 8

Showing results (11-20 of 77) with videos related to

Sort By:
Pageof 8
Inorganic Chemistry|February 11, 2017
DFT Analysis of Spin Crossover in Mn(III) Complexes: Is a Two-Electron S = 2 to S = 0 Spin Transition Feasible?Silvia Amabilino, Robert J Deeth
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|August 20, 2009
Structural and mechanistic insights into the oxy form of tyrosinase from molecular dynamics simulationsRobert J Deeth, Christian Diedrich
Journal of Chemical Theory and Computation|December 1, 2015
Capturing the Trans Influence in Low-Spin d(8) Square-Planar Platinum(II) Systems using Molecular MechanicsAnna E Anastasi, Robert J Deeth
Journal of Chemical Theory and Computation|November 24, 2015
A Multi-Objective Approach to Force Field Optimization: Structures and Spin State Energetics of d(6) Fe(II) ComplexesChristopher M Handley, Robert J Deeth
Inorganic Chemistry|September 11, 1996
A Density Functional Study of Active Site Models for Xanthine OxidaseMark R. Bray, Robert J. Deeth
Angewandte Chemie (International Ed. in English)|May 12, 2009
Is enantioselectivity predictable in asymmetric catalysis?John M Brown, Robert J Deeth
The Journal of Chemical Physics|April 17, 2014
First principles calculation of a large variation in dielectric tensor through the spin crossover in the CsFe[Cr(CN)₆] Prussian blue analogueDerek S Middlemiss, Robert J Deeth
Inorganic Chemistry|August 14, 1996
Theoretical Modeling of Water Exchange on [Pd(H(2)O)(4)](2+), [Pt(H(2)O)(4)](2+), and trans-[PtCl(2)(H(2)O)(2)]Robert J. Deeth, Lars I. Elding
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry|May 23, 2003
A density functional investigation of the extradiol cleavage mechanism in non-heme iron catechol dioxygenasesRobert J Deeth, Timothy D H Bugg
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 4, 2022
Revisiting the Fundamental Nature of Metal-Ligand Bonding: An Impartial and Automated Fitting Procedure for Angular Overlap Model ParametersMoritz Buchhorn, Robert J Deeth, Vera Krewald
Pageof 8