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Inorganic Chemistry
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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 simulations
Robert 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 Mechanics
Anna 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) Complexes
Christopher M Handley, Robert J Deeth
Inorganic Chemistry
|
September 11, 1996
A Density Functional Study of Active Site Models for Xanthine Oxidase
Mark 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 analogue
Derek 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 dioxygenases
Robert 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 Parameters
Moritz Buchhorn, Robert J Deeth, Vera Krewald
Page
of 8
Search research articles
Search
Showing results (11-20 of 77) with videos related to
Sort By:
Page
of 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 simulations
Robert 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 Mechanics
Anna 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) Complexes
Christopher M Handley, Robert J Deeth
Inorganic Chemistry
|
September 11, 1996
A Density Functional Study of Active Site Models for Xanthine Oxidase
Mark 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 analogue
Derek 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 dioxygenases
Robert 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 Parameters
Moritz Buchhorn, Robert J Deeth, Vera Krewald
Page
of 8