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Science (American Association for the Advancement of Science), ISSN 0036-8075, 2011, Volume 333, Issue 6044, pp. 863 - 866
Reduction of acids to molecular hydrogen as a means of storing energy is catalyzed by platinum, but its low abundance and high cost are problematic. Precisely... 
Protons | Electrocatalysis | Nickel | Hydrogen bonds
Journal Article
Chemical communications (Cambridge, England), ISSN 1364-548X, 2014, Volume 50, Issue 24, pp. 3125 - 3143
Journal Article
Computer physics communications, ISSN 0010-4655, 2016, Volume 201, pp. 159 - 166
Journal Article
Journal of Chemical Physics, ISSN 0021-9606, 10/2001, Volume 115, Issue 16, pp. 7554 - 7563
.... The approach is based on the numerical solution of the time-dependent Schrodinger equation for a stochastic perturbing Hamiltonian which is simulated by a Monte Carlo algorithm using discrete time steps... 
RESONANCE-SPECTRA | AQUEOUS-SOLUTIONS | NUCLEAR | TIME-DOMAIN | GD3+ COMPLEXES | EPR | NMR RELAXATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | MRI CONTRAST AGENTS | WATER
Journal Article
Structural Equation Modeling: A Multidisciplinary Journal, ISSN 1070-5511, 01/2018, Volume 25, Issue 1, pp. 71 - 85
...; an understudied case of empirical underidentification due to a planned missingness (i.e., split-ballot) design. A Monte Carlo simulation and 3 empirical examples showed that Bayesian estimation performs better than maximum likelihood... 
estimation | true score model | multitrait-multimethod | Bayesian | MATRIX | ROBUSTNESS | MTMM | METAANALYSIS | CONFIRMATORY FACTOR-ANALYSIS | MISSING DATA DESIGNS | RELIABILITY | IDENTIFICATION | MATHEMATICS, INTERDISCIPLINARY APPLICATIONS | STRUCTURAL EQUATION MODELS | IMPROPER SOLUTIONS | SOCIAL SCIENCES, MATHEMATICAL METHODS
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 3/2006, Volume 115, Issue 2, pp. 190 - 195
Journal Article
Chemical Communications, ISSN 1359-7345, 04/2014, Volume 50, Issue 28, pp. 3681 - 3684
We report solvent and electrolyte effects on the electrocatalytic oxidation of H2 using Ni(PCy2NR′2)2 (R = Bn, tBu) complexes. A turnover frequency of 46 s−1... 
nickel | MATERIALS SCIENCE | hydrogen | proton relay | electrocatalysis
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9084, 2015, Volume 17, Issue 20, pp. 13307 - 13314
A novel [Mg 2 (μ-Cl) 2 ] 2+ cation complex, which is highly active for reversible Mg electrodeposition, was identified for the first time in this work. A novel... 
Journal Article
Organometallics, ISSN 0276-7333, 09/2014, Volume 33, Issue 18
The complexes [Ni(PPh2NPh2)2(CH3CN)]2+ and [Pd(PPh2NPh2)2]2+, where PPh2NPh2 is 1,5-diphenyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane, are compared as... 
proton relay | electrocatalysis | hydrogen production
Journal Article
Inorganic Chemistry, ISSN 0020-1669, 11/2011, Volume 50, Issue 21, pp. 10908 - 10918
A series of [Ni(PR 2NPh 2)2(CH3CN)](BF4)2 complexes containing the cyclic diphosphine ligands [PR 2NPh 2 = 1,5-diaza-3,7-diphosphacyclooctane; R = benzyl (Bn),... 
PHOSPHORUS | ELECTRON TRANSFER | X-RAY DIFFRACTION | HYDRIDES | INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY | catalysis | hydrogen | CLEAVAGE | ELECTROCATALYSTS | CATIONS | AMINES | NITROGEN | ATOMS | ACETONITRILE | PRODUCTION
Journal Article
European Journal of Inorganic Chemistry, ISSN 1434-1948, 11/2015, Volume 2015, Issue 31, pp. 5218 - 5225
Hydrogenase enzymes are reversible catalysts for H2 production/oxidation, operating with fast rates and minimal overpotentials in water. Many synthetic... 
Bioinspired catalyst design | Bidirectional catalysis | Hydrogen oxidation | Solvent effects | Enzymes | Nitriles | Oxidation-reduction reaction | Catalysis | Hydrogen | Analysis | Solvents | Oxidation | Environmental Molecular Sciences Laboratory | Outer coordination sphere | Catalytic directionality | H2 oxidation/production
Journal Article