Transition-metal-mediated phosphorus-carbon bond cleavage and its relevance to homogeneous catalyst deactivation
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June 1985 |
Deactivation in Homogeneous Transition Metal Catalysis: Causes, Avoidance, and Cure
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November 2014 |
Cyclometalation Using d-Block Transition Metals: Fundamental Aspects and Recent Trends
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February 2010 |
Dinitrogen Reduction by a Chromium(0) Complex Supported by a 16-Membered Phosphorus Macrocycle
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July 2013 |
Intramolecular Iron-Mediated C–H Bond Heterolysis with an Assist of Pendant Base in a [FeFe]-Hydrogenase Model
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October 2014 |
Synthesis, structure and reactions of a dinitrogen complex of iron(0), [Fe(N2)(depe)2] (depe = Et2PCH2CH2PEt2)
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January 1997 |
Protonation of Ferrous Dinitrogen Complexes Containing a Diphosphine Ligand with a Pendent Amine
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June 2012 |
Nickel(II) Pincer Carbene Complexes: Oxidative Addition of an Aryl C–H Bond to Form a Ni(II) Hydride
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September 2014 |
Synthesis and Characterization of a Family of POCOP Pincer Complexes with Nickel: Reactivity Towards CO 2 and Phenylacetylene
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July 2014 |
Activation of Water, Ammonia, and Other Small Molecules by PC carbene P Nickel Pincer Complexes
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July 2013 |
Facile P−C/C−H Bond-Cleavage Reactivity of Nickel Bis(diphosphine) Complexes
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June 2016 |
Relationship between the bite size of diphosphine ligands and tetrahedral distortions of "square-planar" nickel(II) complexes: stabilization of nickel(I) and palladium(I) complexes using diphosphine ligands with large bites
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February 1991 |
The First Late-Transition-Metal Cyclopentadienyl Chelate Complexes with Silylphosphane or Secondary Phosphane Tethers: Late-Transition-Metal Cyclopentadienyl Chelate Complexes
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November 2014 |
Übergangsmetallorganische Reaktionskaskaden zum Aufbau höher aggregierter Systeme: Nickelacyclische Carboxylate als Precursoren für die Synthese eines Oxinato-Nickel(II)-Tetramers
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October 2005 |
Mechanistic Insights into Catalytic H 2 Oxidation by Ni Complexes Containing a Diphosphine Ligand with a Positioned Amine Base
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April 2009 |
Computational Exploration of Alternative Catalysts for Olefin Purification: Cobalt and Copper Analogues Inspired by Nickel Bis(dithiolene) Electrocatalysis
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August 2014 |
Impact of Weak Agostic Interactions in Nickel Electrocatalysts for Hydrogen Oxidation
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June 2017 |
Two Pathways for Electrocatalytic Oxidation of Hydrogen by a Nickel Bis(diphosphine) Complex with Pendant Amines in the Second Coordination Sphere
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June 2013 |
[Ni(P Ph 2 N Bn 2 ) 2 (CH 3 CN)] 2+ as an Electrocatalyst for H 2 Production: Dependence on Acid Strength and Isomer Distribution
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May 2011 |
Experimental and Computational Mechanistic Studies Guiding the Rational Design of Molecular Electrocatalysts for Production and Oxidation of Hydrogen
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November 2015 |
Reversing the Tradeoff between Rate and Overpotential in Molecular Electrocatalysts for H 2 Production
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March 2018 |
Reversible Electrocatalytic Production and Oxidation of Hydrogen at Low Overpotentials by a Functional Hydrogenase Mimic
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February 2012 |
Electrocatalytic Oxidation of Formate by [Ni(P R 2 N R′ 2 ) 2 (CH 3 CN)] 2+ Complexes
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August 2011 |
Formate oxidation via β-deprotonation in [Ni(PR2NR′2)2(CH3CN)]2+ complexes
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January 2012 |
Catalytic Oxidation of Alcohol via Nickel Phosphine Complexes with Pendant Amines
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August 2014 |
Nickel phosphine catalysts with pendant amines for electrocatalytic oxidation of alcohols
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January 2015 |
Comparison of Cobalt and Nickel Complexes with Sterically Demanding Cyclic Diphosphine Ligands: Electrocatalytic H 2 Production by [Co(P t Bu 2 N Ph 2 )(CH 3 CN) 3 ](BF 4 ) 2 †
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November 2010 |
Comparison of silver and molybdenum microfocus X-ray sources for single-crystal structure determination
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January 2015 |
IL MILIONE : a suite of computer programs for crystal structure solution of proteins
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May 2007 |
A short history of SHELX
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December 2007 |
Crystal structure refinement with SHELXL
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January 2015 |
ORTEP -3 for Windows - a version of ORTEP -III with a Graphical User Interface (GUI)
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October 1997 |
OLEX2 : a complete structure solution, refinement and analysis program
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January 2009 |
Computational Studies on Ethylene Addition to Nickel Bis(dithiolene)
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December 2011 |
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
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June 1986 |
Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids
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September 2003 |
Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
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May 1989 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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January 1988 |
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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July 2007 |
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
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January 2008 |
Effect of the damping function in dispersion corrected density functional theory
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March 2011 |
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
- Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
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The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
https://doi.org/10.1021/jp810292n
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May 2009 |
Mechanism of the Formation of Carboxylate from Alcohols and Water Catalyzed by a Bipyridine-Based Ruthenium Complex: A Computational Study
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December 2013 |