Generalized Gradient Approximation Made Simple
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October 1996 |
Nickel N-heterocyclic carbene–pyridine complexes that exhibit selectivity for electrocatalytic reduction of carbon dioxide over water
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January 2011 |
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
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August 1980 |
Ligand-Based Reduction of CO 2 and Release of CO on Iron(II)
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August 2012 |
Toward more efficient photochemical CO2 reduction: Use of scCO2 or photogenerated hydrides
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November 2010 |
[Ni(P Ph 2 N C6H4X 2 ) 2 ] 2+ Complexes as Electrocatalysts for H 2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates
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April 2011 |
Toward photochemical carbon dioxide activation by transition metal complexes
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May 1994 |
Re(bipy-tBu)(CO) 3 Cl−improved Catalytic Activity for Reduction of Carbon Dioxide: IR-Spectroelectrochemical and Mechanistic Studies
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October 2010 |
Iron Porphyrin-Catalyzed Reduction of CO 2 . Photochemical and Radiation Chemical Studies
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January 1997 |
Comparing Well-Defined Manganese, Iron, Cobalt, and Nickel Ketone Hydrosilylation Catalysts
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May 2014 |
Solvation Free Energies of Peptides: Comparison of Approximate Continuum Solvation Models with Accurate Solution of the Poisson−Boltzmann Equation
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February 1997 |
Investigation of formally zerovalent Triphos iron complexes
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January 2012 |
Reductive coupling of pyridazine and benzaldehyde azine and reduction of bipyridine by samarium complex (C5Me5)2Sm(THF)2
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April 1989 |
Molecular and Electronic Structures of Homoleptic Nickel and Cobalt Complexes with Non-Innocent Bulky Diimine Ligands Derived from Fluorinated 1,4-Diaza-1,3-butadiene (DAD) and Bis(arylimino)acenaphthene (BIAN)
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August 2006 |
Photochemical and Photoelectrochemical Reduction of CO 2
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May 2012 |
Rational Design of Rhodium Complexes Featuring κ 4 - N , N , N , N - and κ 5 - N , N , N , P , P -Bis(imino)pyridine Ligands
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July 2013 |
Coordination of 2,2‘-Bipyridyl and 1,10-Phenanthroline to Substituted Ytterbocenes: An Experimental Investigation of Spin Coupling in Lanthanide Complexes
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February 2002 |
Electrocatalytic Reduction of CO2 Using the Complexes [Re(bpy)(CO)3L]n (n = +1, L = P(OEt)3, CH3CN; n = 0, L = Cl-, Otf-; bpy = 2,2‘-Bipyridine; Otf- = CF3SO3) as Catalyst Precursors: Infrared Spectroelectrochemical Investigation
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July 1996 |
Hydrogen Evolution Catalyzed by Cobaloximes
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December 2009 |
Electrocatalytic reduction of carbon dioxide mediated by Re(bipy)(CO) 3 Cl (bipy = 2,2′-bipyridine)
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January 1984 |
Solar Fuels via Artificial Photosynthesis
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December 2009 |
Electrocatalytic Hydrogen Evolution in Acidic Water with Molecular Cobalt Tetraazamacrocycles
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February 2012 |
Iron(II) and Ruthenium(II) Complexes Containing P, N, and H Ligands: Structure, Spectroscopy, Electrochemistry, and Reactivity
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October 2010 |
Coordination of 2,2‘-Bipyridyl and 1,10-Phenanthroline to Yttrium and Lanthanum Complexes Based on a Scorpionate Ligand
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October 2003 |
Carbon dioxide activation: thermodynamics of carbon dioxide binding and the involvement of two cobalt centers in the reduction of carbon dioxide by a cobalt(I) macrocycle
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July 1988 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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January 1988 |
Kinetic and structural studies, origins of selectivity, and interfacial charge transfer in the artificial photosynthesis of CO
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May 2012 |
Electrocatalytic Reduction of Carbon Dioxide with a Manganese(I) Tricarbonyl Complex Containing a Nonaromatic α-Diimine Ligand
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May 2014 |
Poisson−Boltzmann Analytical Gradients for Molecular Modeling Calculations
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April 1999 |
Electronic Structure of 2,2′-Bipyridine Organotransition-Metal Complexes. Establishing the Ligand Oxidation Level by Density Functional Theoretical Calculations
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October 2011 |
A Synthetic Nickel Electrocatalyst with a Turnover Frequency Above 100,000 s-1 for H2 Production
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August 2011 |
[Mn(bipyridyl)(CO)3Br]: An Abundant Metal Carbonyl Complex as Efficient Electrocatalyst for CO2 Reduction
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September 2011 |
Synthesis, Spectroscopy, and Electrochemistry of (α-Diimine)M(CO) 3 Br, M = Mn, Re, Complexes: Ligands Isoelectronic to Bipyridyl Show Differences in CO 2 Reduction
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December 2014 |
Solubility and electrochemical determination of CO2 in some dipolar aprotic solvents
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August 1990 |
Nature of hydrogen interactions with Ni(II) complexes containing cyclic phosphine ligands with pendant nitrogen bases
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March 2007 |
Importance of co-donor field strength in the preparation of tetradentate α-diimine nickel hydrosilylation catalysts
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January 2013 |
Pulsed-EPR Evidence of a Manganese(II) Hydroxycarbonyl Intermediate in the Electrocatalytic Reduction of Carbon Dioxide by a Manganese Bipyridyl Derivative
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November 2013 |
Some general principles for designing electrocatalysts with hydrogenase activity
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August 2005 |
Ferrous Ions as Catalysts for Photochemical Reduction of CO 2 in Homogeneous Solutions
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April 2000 |
Efficient and selective electron mediation of cobalt complexes with cyclam and related macrocycles in the p-terphenyl-catalyzed photoreduction of carbon dioxide
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January 1993 |
Mechanistic and kinetic studies of cobalt macrocycles in a photochemical CO2 reduction system
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June 1995 |
Electrocatalytic reduction of carbon dioxide by using macrocycles of nickel and cobalt
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September 1980 |
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
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January 1985 |
Ultraefficient selective homogeneous catalysis of the electrochemical reduction of carbon dioxide by an iron(0) porphyrin associated with a weak Broensted acid cocatalyst
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June 1994 |
Proton reduction catalysis by manganese vinylidene and allenylidene complexes
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July 2007 |
Mechanism of the Formation of a Mn-Based CO 2 Reduction Catalyst Revealed by Pulse Radiolysis with Time-Resolved Infrared Detection
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April 2014 |
Preparation and Hydrosilylation Activity of a Molybdenum Carbonyl Complex That Features a Pentadentate Bis(imino)pyridine Ligand
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August 2014 |
Small molecule mimics of hydrogenases: hydrides and redox
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January 2009 |
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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November 1994 |
A Highly Active Manganese Precatalyst for the Hydrosilylation of Ketones and Esters
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January 2014 |
The Artificial Leaf
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January 2012 |
Manganese Catalysts with Bulky Bipyridine Ligands for the Electrocatalytic Reduction of Carbon Dioxide: Eliminating Dimerization and Altering Catalysis
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February 2014 |
Ligand-centred reactivity in diiminepyridine complexes
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January 2006 |
Powering the planet: Chemical challenges in solar energy utilization
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October 2006 |
Density-functional exchange-energy approximation with correct asymptotic behavior
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September 1988 |
Photochemical reduction of carbon dioxide using nickel tetraazamacrocycles
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October 1990 |
Electrocatalytic CO 2 reduction with a membrane supported manganese catalyst in aqueous solution
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January 2014 |
Molecular mimicry of photosynthetic energy and electron transfer
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April 1993 |
Ultraefficient homogeneous catalyst for the CO 2 -to-CO electrochemical conversion
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October 2014 |
Chemical catalysis of electrochemical reactions. Homogeneous catalysis of the electrochemical reduction of carbon dioxide by iron("0") porphyrins. Role of the addition of magnesium cations
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October 1991 |
Tuning the Oxidation Level, the Spin State, and the Degree of Electron Delocalization in Homo- and Heteroleptic Bis(α-diimine)iron Complexes
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January 2009 |
Reevaluation of the Born model of ion hydration
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December 1985 |
New Model for Calculation of Solvation Free Energies: Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects
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January 1996 |
Photochemical carbon dioxide reduction with metal complexes
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May 1999 |
Thermodynamics and kinetics of CO2, CO, and H+ binding to the metal centre of CO2reductioncatalysts
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January 2012 |
Electrocatalysis by metal phthalocyanines in the reduction of carbon dioxide
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January 1974 |
Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen
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January 1989 |
The Hydrogen Economy
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December 2004 |
Valence bond description of antiferromagnetic coupling in transition metal dimers
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May 1981 |
Iron Complexes for the Electrocatalytic Oxidation of Hydrogen: Tuning Primary and Secondary Coordination Spheres
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March 2014 |
Solar Water Splitting Cells
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November 2010 |
De Novo 3D Structure Determination from Sub-milligram Protein Samples by Solid-State 100 kHz MAS NMR Spectroscopy
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September 2014 |
p -Terphenyl-Sensitized Photoreduction of CO 2 with Cobalt and Iron Porphyrins. Interaction between CO and Reduced Metalloporphyrins
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September 1999 |
Bis(α-diimine)iron Complexes: Electronic Structure Determination by Spectroscopy and Broken Symmetry Density Functional Theoretical Calculations
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June 2008 |
Exploring the effect of axial ligand substitution (X = Br, NCS, CN) on the photodecomposition and electrochemical activity of [MnX(N–C)(CO) 3 ] complexes
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January 2015 |
Dinuclear Nickel Complexes as Catalysts for Electrochemical Reduction of Carbon Dioxide
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January 2005 |
6-31G * basis set for atoms K through Zn
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July 1998 |
Experimental and Computational Study of the Structural and Electronic Properties of Fe II (2,2′-bipyridine)(mes) 2 and [Fe II (2,2′-bipyridine)(mes) 2 ] − , a Complex Containing a 2,2′-Bipyridyl Radical Anion
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July 2010 |
Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
Ligand spin polarization and antiferromagnetic coupling in transition metal dimers
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November 1986 |
Molecular and Electronic Structures of Bis(pyridine-2,6-diimine)metal Complexes [ML 2 ](PF 6 ) n ( n = 0, 1, 2, 3; M = Mn, Fe, Co, Ni, Cu, Zn) †
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June 2000 |
Electrocatalytic reduction of carbon dioxide by nickel cyclam2+ in water: study of the factors affecting the efficiency and the selectivity of the process
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November 1986 |
Synthesis and Electronic Structure of Reduced Bis(imino)pyridine Manganese Compounds
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October 2011 |
Photoreduction of CO 2 on p-type Silicon Using Re(bipy-Bu t )(CO) 3 Cl: Photovoltages Exceeding 600 mV for the Selective Reduction of CO 2 to CO
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July 2010 |
One- and two-electron pathways in the electrocatalytic reduction of CO 2 by fac-Re(bpy)(CO) 3 Cl (bpy = 2,2′-bipyridine)
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January 1985 |
Manganese as a Substitute for Rhenium in CO 2 Reduction Catalysts: The Importance of Acids
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February 2013 |
Ab initio effective core potentials for molecular calculations. Potentials for the transition metal atoms Sc to Hg
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January 1985 |
Catalytic Hydrogen Evolution by Fe(II) Carbonyls Featuring a Dithiolate and a Chelating Phosphine
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August 2014 |
A Local Proton Source Enhances CO 2 Electroreduction to CO by a Molecular Fe Catalyst
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October 2012 |
Electronic Structure of Bis(imino)pyridine Iron Dichloride, Monochloride, and Neutral Ligand Complexes: A Combined Structural, Spectroscopic, and Computational Study
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October 2006 |
Catalysis of the electrochemical reduction of carbon dioxide by iron(“0”) porphyrins
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July 1988 |
Manganese Carbonyl Complexes as Catalysts for the Hydrosilation of Ketones: Comparison with RhCl(PPh 3 ) 3
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January 1996 |
Quantum Chemical Studies of Intermediates and Reaction Pathways in Selected Enzymes and Catalytic Synthetic Systems
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February 2004 |
Bis(α-diimine)nickel Complexes: Molecular and Electronic Structure of Three Members of the Electron-Transfer Series [Ni(L) 2 ] z ( z = 0, 1+, 2+) (L = 2-Phenyl-1,4-bis(isopropyl)-1,4-diazabutadiene). A Combined Experimental and Theoretical Study
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May 2007 |
Hydrogen Oxidation and Production Using Nickel-Based Molecular Catalysts with Positioned Proton Relays
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January 2006 |
A Nickel Phosphine Complex as a Fast and Efficient Hydrogen Production Catalyst
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January 2015 |
Catalysis of the Electrochemical Reduction of Carbon Dioxide by Iron(0) Porphyrins: Synergystic Effect of Weak Brönsted Acids
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January 1996 |
Phenazine-Photosensitized Reduction of CO2 Mediated by a Cobalt-Cyclam Complex through Electron and Hydrogen Transfer
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August 1995 |
Pendant Acid–Base Groups in Molecular Catalysts: H-Bond Promoters or Proton Relays? Mechanisms of the Conversion of CO 2 to CO by Electrogenerated Iron(0)Porphyrins Bearing Prepositioned Phenol Functionalities
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August 2014 |
Electrocatalytic Hydrogen Evolution at Low Overpotentials by Cobalt Macrocyclic Glyoxime and Tetraimine Complexes
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July 2007 |
Mechanistic Contrasts between Manganese and Rhenium Bipyridine Electrocatalysts for the Reduction of Carbon Dioxide
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November 2014 |
An electroanalytical investigation on the nickel-promoted electrochemical conversion of CO2 to CO
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March 1987 |
Cobalt and nickel diimine-dioxime complexes as molecular electrocatalysts for hydrogen evolution with low overvoltages
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November 2009 |
Electrocatalytic and homogeneous approaches to conversion of CO 2 to liquid fuels
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January 2009 |
Mimicking Photosynthetic Solar Energy Transduction
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journal
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January 2001 |
Synthesis and Characterization of a Uranium(III) Complex Containing a Redox-Active 2,2′-Bipyridine Ligand
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journal
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February 2010 |
Photocatalytic CO 2 reduction using a Mn complex as a catalyst
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journal
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January 2014 |
NHC-Containing Manganese(I) Electrocatalysts for the Two-Electron Reduction of CO 2
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April 2014 |