The Role of Pendant Amines in the Breaking and Forming of Molecular Hydrogen Catalyzed by Nickel Complexes

Molecular Electrocatalysts for the Oxidation of Hydrogen and the Production of Hydrogen - The Role of Pendant Amines as Proton Relays

(2011) Daniel L. DuBois et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Current Theoretical Challenges in Proton-Coupled Electron Transfer: Electron–Proton Nonadiabaticity, Proton Relays, and Ultrafast Dynamics

(2011) Sharon Hammes-Schiffer   Journal of Physical Chemistry Letters

[Ni(PPh2NC6H4X2)2]2+Complexes as Electrocatalysts for H2Production: Effect of Substituents, Acids, and Water on Catalytic Rates

(2011) Uriah J. Kilgore et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Moving Protons with Pendant Amines: Proton Mobility in a Nickel Catalyst for Oxidation of Hydrogen

(2011) Molly O’Hagan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Stabilization of Nickel Complexes with Ni0···H–N Bonding Interactions Using Sterically Demanding Cyclic Diphosphine Ligands

(2011) Eric S. Wiedner et al.   ORGANOMETALLICS

Water Splitting Promoted by a Ruthenium(II) PNN Complex: An Alternate Pathway through a Dihydrogen Complex for Hydrogen Production

(2011) K. S. Sandhya et al.   ORGANOMETALLICS

Comprehensive Thermodynamics of Nickel Hydride Bis(Diphosphine) Complexes: A Predictive Model through Computations

(2011) Shentan Chen et al.   ORGANOMETALLICS

A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s-1 for H2 Production

(2011) M. L. Helm et al.   SCIENCE

[Ni(PPh2NBn2)2(CH3CN)]2+ as an Electrocatalyst for H2 Production: Dependence on Acid Strength and Isomer Distribution

(2011) Aaron M. Appel et al.   ACS Catalysis

Hydrogen oxidation catalysis by a nickel diphosphine complex with pendant tert-butyl amines

(2010) Jenny Y. Yang et al.   CHEMICAL COMMUNICATIONS

Thermochemistry of Proton-Coupled Electron Transfer Reagents and its Implications

(2010) Jeffrey J. Warren et al.   CHEMICAL REVIEWS

Theory of Coupled Electron and Proton Transfer Reactions

(2010) Sharon Hammes-Schiffer et al.   CHEMICAL REVIEWS

Homogeneous Ni Catalysts for H2Oxidation and Production: An Assessment of Theoretical Methods, from Density Functional Theory to Post Hartree−Fock Correlated Wave-Function Theory

(2010) Shentan Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Development of Molecular Electrocatalysts for CO2Reduction and H2Production/Oxidation

(2009) M. Rakowski Dubois et al.   ACCOUNTS OF CHEMICAL RESEARCH

Frustrated Lewis Pairs: Metal-free Hydrogen Activation and More

(2009) Douglas W. Stephan et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Metal−Ligand Cooperation in H2Production and H2O Decomposition on a Ru(II) PNN Complex: The Role of Ligand Dearomatization−Aromatization

(2009) Jun Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanistic Insights into Catalytic H2Oxidation by Ni Complexes Containing a Diphosphine Ligand with a Positioned Amine Base

(2009) Jenny Y. Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Rationalizing the Reactivity of Frustrated Lewis Pairs: Thermodynamics of H2Activation and the Role of Acid−Base Properties

(2009) Tibor András Rokob et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Consecutive Thermal H2and Light-Induced O2Evolution from Water Promoted by a Metal Complex

(2009) Stephan W. Kohl et al.   SCIENCE

Turning Frustration into Bond Activation: A Theoretical Mechanistic Study on Heterolytic Hydrogen Splitting by Frustrated Lewis Pairs

(2008) Tibor András Rokob et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The roles of the first and second coordination spheres in the design of molecular catalysts for H2production and oxidation

(2008) M. Rakowski DuBois et al.   CHEMICAL SOCIETY REVIEWS

Molecular Tweezers for Hydrogen: Synthesis, Characterization, and Reactivity

(2008) Victor Sumerin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

“Frustrated Lewis pairs”: a concept for new reactivity and catalysis

(2008) Douglas W. Stephan   ORGANIC & BIOMOLECULAR CHEMISTRY

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

(2008) Alessandro Laio et al.   REPORTS ON PROGRESS IN PHYSICS

Theoretical studies of proton-coupled electron transfer: Models and concepts relevant to bioenergetics

(2007) S HAMMESSCHIFFER et al.   COORDINATION CHEMISTRY REVIEWS