Nitrogen Adsorption and Hydrogenation on a Complex
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May 1999 |
Catalytic Reduction of Dinitrogen to Ammonia at a Single Molybdenum Center
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December 2005 |
Electrolytic ammonia synthesis from water and nitrogen gas in molten salt under atmospheric pressure
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September 2005 |
Reduction of Dinitrogen to Ammonia at a Well-Protected Reaction Site in a Molybdenum Triamidoamine Complex
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June 2002 |
Calculated details of a mechanism for conversion of N2 to NH3 at the FeMo cluster of nitrogenase
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January 1997 |
Ammonia synthesis over a Ru(0001) surface studied by density functional calculations
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December 2003 |
A first-principles study of molecular oxygen dissociation at an electrode surface: a comparison of potential variation and coadsorption effects
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January 2008 |
Modeling the electrified solid–liquid interface
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November 2008 |
Catalytic Synthesis of Ammonia — A “Never-Ending Story”?
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July 2003 |
A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals
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October 2015 |
Adsorption of nitrogen on potassium promoted Fe(111) and (100) surfaces
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February 1982 |
Ammonia synthesis at low temperatures
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March 2000 |
A fast and robust algorithm for Bader decomposition of charge density
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June 2006 |
Studies Relevant to Catalytic Reduction of Dinitrogen to Ammonia by Molybdenum Triamidoamine Complexes
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June 2005 |
Studies Relevant to Catalytic Reduction of Dinitrogen to Ammonia by Molybdenum Triamidoamine Complexes
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February 2005 |
Enabling electrochemical reduction of nitrogen to ammonia at ambient conditions through rational catalyst design
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January 2015 |
Electroreduction of N 2 to Ammonia at Ambient Conditions on Mononitrides of Zr, Nb, Cr, and V: A DFT Guide for Experiments
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December 2015 |
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
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June 2012 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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December 2000 |
Nitrogen Activation in a Mars–van Krevelen Mechanism for Ammonia Synthesis on Co 3 Mo 3 N
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October 2015 |
An object-oriented scripting interface to a legacy electronic structure code
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January 2002 |
Global Population and the Nitrogen Cycle
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July 1997 |
Oxidations carried out by means of vanadium oxide catalysts
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January 1954 |
The Yandulov/Schrock Cycle and the Nitrogenase Reaction: Pathways of Nitrogen Fixation Studied by Density Functional Theory
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January 2006 |
A theory of overpotential
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January 1927 |
Ammonia for hydrogen storage: challenges and opportunities
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January 2008 |
Activation of nitrogen by alkali metal promoted transition metal I. Ammonia synthesis over ruthenium promoted by alkali metal
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December 1972 |
Modeling the Nitrogenase FeMo Cofactor
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December 2000 |
Ammonia synthesis over iron single-crystal catalysts: the effects of alumina and potassium
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September 1986 |
Special points for Brillouin-zone integrations
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June 1976 |
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations
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October 2010 |
Adsorption of nitrogen on potassium promoted Fe(111) and (100) surfaces
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February 1982 |
Electric Field Effects in Electrochemical CO 2 Reduction
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September 2016 |
Electrochemical synthesis of ammonia at atmospheric pressure and low temperature in a solid polymer electrolyte cell
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January 2000 |
Predicting Catalysis: Understanding Ammonia Synthesis from First-Principles Calculations
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September 2006 |
The Synthesis of Ammonia over a Ruthenium Single Crystal
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September 1998 |
Hydrogen Evolution Reaction Catalyzed by Transition-Metal Nitrides
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October 2017 |
Scaling Properties of Adsorption Energies for Hydrogen-Containing Molecules on Transition-Metal Surfaces
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July 2007 |
The Challenge of Electrochemical Ammonia Synthesis: A New Perspective on the Role of Nitrogen Scaling Relations
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June 2015 |
DFT based study of transition metal nano-clusters for electrochemical NH3 production
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January 2013 |
Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations
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November 2010 |
Catalytic Reduction of Dinitrogen to Ammonia at a Single Molybdenum Center
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July 2003 |
Electrochemical ammonia production on molybdenum nitride nanoclusters
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January 2013 |
Challenges in reduction of dinitrogen by proton and electron transfer
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January 2014 |
Catalytic Synthesis of Ammonia—A “Never-Ending Story”?
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May 2003 |
Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode
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November 2004 |
Mechanism of Molybdenum Nitrogenase
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January 1996 |
A theoretical evaluation of possible transition metal electro-catalysts for N 2 reduction
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January 2012 |
Electrochemical Ammonia Synthesis—The Selectivity Challenge
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December 2016 |
Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode
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January 2007 |
Understanding trends in electrochemical carbon dioxide reduction rates
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May 2017 |
Catalytic Reduction of Dinitrogen to Ammonia at a Single Molybdenum Center
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January 2006 |
Electrochemical synthesis of ammonia via Mars-van Krevelen mechanism on the (111) facets of group III–VII transition metal mononitrides
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journal
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May 2017 |
Synthesis of ammonia directly from air and water at ambient temperature and pressure
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January 2013 |
The Yandulov/Schrock Cycle and the Nitrogenase Reaction: Pathways of Nitrogen Fixation Studied by Density Functional Theory
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journal
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April 2006 |
The Brønsted–Evans–Polanyi Relation and the Volcano Plot for Ammonia Synthesis over Transition Metal Catalysts
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January 2001 |
Catalytic Reduction of Dinitrogen to Ammonia by Molybdenum: Theory versus Experiment
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June 2008 |
Über die Polarisation bei kathodischer Wasserstoffentwicklung
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January 1905 |