Postextraction Separation, On-Board Storage, and Catalytic Conversion of Methane in Natural Gas: A Review
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August 2016 |
Halogen-Mediated Conversion of Hydrocarbons to Commodities
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February 2017 |
Strategies for the Direct Catalytic Valorization of Methane Using Heterogeneous Catalysis: Challenges and Opportunities
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April 2016 |
The active site of low-temperature methane hydroxylation in iron-containing zeolites
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August 2016 |
Beyond Oil and Gas: The Methanol Economy
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April 2005 |
Recent advances in heterogeneous selective oxidation catalysis for sustainable chemistry
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January 2014 |
Copper Active Sites in Biology
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January 2014 |
Crystal structure of a bacterial non-haem iron hydroxylase that catalyses the biological oxidation of methane
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December 1993 |
Crystal structure of a membrane-bound metalloenzyme that catalyses the biological oxidation of methane
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January 2005 |
Oxidation of methane by a biological dicopper centre
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April 2010 |
One is Lonely and Three is a Crowd: Two Coppers Are for Methane Oxidation
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July 2010 |
Toward Delineating the Structure and Function of the Particulate Methane Monooxygenase from Methanotrophic Bacteria †
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April 2004 |
Redox Potentiometry Studies of Particulate Methane Monooxygenase: Support for a Trinuclear Copper Cluster Active Site
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March 2007 |
Efficient Room-Temperature Oxidation of Hydrocarbons Mediated by Tricopper Cluster Complexes with Different Ligands
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November 2012 |
Cu based zeolites: A UV–vis study of the active site in the selective methane oxidation at low temperatures
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December 2005 |
Selective Oxidation of Methane by the Bis(μ-oxo)dicopper Core Stabilized on ZSM-5 and Mordenite Zeolites
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February 2005 |
Cu-ZSM-5: A biomimetic inorganic model for methane oxidation
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December 2011 |
Catalytic conversion of methane to methanol over Cu–mordenite
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January 2012 |
Determination of the electronic and geometric structure of Cu sites during methane conversion over Cu-MOR with X-ray absorption spectroscopy
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January 2013 |
Spectroscopy and Redox Chemistry of Copper in Mordenite
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January 2014 |
Single-site trinuclear copper oxygen clusters in mordenite for selective conversion of methane to methanol
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June 2015 |
Catalytic Oxidation of Methane into Methanol over Copper-Exchanged Zeolites with Oxygen at Low Temperature
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April 2016 |
Solid-State Ion-Exchanged Cu/Mordenite Catalysts for the Direct Conversion of Methane to Methanol
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January 2017 |
Direct Conversion of Methane to Methanol under Mild Conditions over Cu-Zeolites and beyond
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January 2017 |
Understanding trends in C–H bond activation in heterogeneous catalysis
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October 2016 |
Bis(μ-oxo)dicopper in Cu-ZSM-5 and Its Role in the Decomposition of NO: A Combined in Situ XAFS, UV−Vis−Near-IR, and Kinetic Study
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June 2003 |
Identification of Cu(ii) coordination structures in Cu-ZSM-5, based on a DFT/ab initio assignment of the EPR spectra
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January 2003 |
Cu-ZSM-5 Zeolites for the Formation of Methanol from Methane and Oxygen: Probing the Active Sites and Spectator Species
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June 2010 |
Coordination chemistry and reactivity of copper in zeolites
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January 2013 |
Spectroscopic Definition of the Copper Active Sites in Mordenite: Selective Methane Oxidation
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May 2015 |
Possibility of Copper-Ion-Exchanged MFI-Type Zeolite as C–H Bond Activation Material for Propane and the Driving Force for Activation
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September 2015 |
Existence of dual species composed of Cu+ in CuMFI being bridged by C2H2
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January 2010 |
Reaction Conditions of Methane-to-Methanol Conversion Affect the Structure of Active Copper Sites
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December 2013 |
Direct Catalytic Conversion of Methane to Methanol in an Aqueous Medium by using Copper-Promoted Fe-ZSM-5
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April 2012 |
A [Cu 2 O] 2+ core in Cu-ZSM-5, the active site in the oxidation of methane to methanol
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October 2009 |
Formation of [Cu 2 O 2 ] 2+ and [Cu 2 O] 2+ toward C–H Bond Activation in Cu-SSZ-13 and Cu-SSZ-39
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May 2017 |
Monocopper Active Site for Partial Methane Oxidation in Cu-Exchanged 8MR Zeolites
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September 2016 |
Roles of Zeolite Confinement and Cu–O–Cu Angle on the Direct Conversion of Methane to Methanol by [Cu 2 (μ-O)] 2+ -Exchanged AEI, CHA, AFX, and MFI Zeolites
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April 2017 |
Assessing the relative stability of copper oxide clusters as active sites of a CuMOR zeolite for methane to methanol conversion: size matters?
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January 2017 |
Synthesis of single-site copper catalysts for methane partial oxidation
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January 2016 |
Distinct activation of Cu-MOR for direct oxidation of methane to methanol
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January 2017 |
Facile O-atom insertion into CC and CH bonds by a trinuclear copper complex designed to harness a singlet oxene
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September 2007 |
Development of the Tricopper Cluster as a Catalyst for the Efficient Conversion of Methane into MeOH
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September 2013 |
Stability and reactivity of copper oxo-clusters in ZSM-5 zeolite for selective methane oxidation to methanol
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June 2016 |
High-level ab initio calculations on the energetics of low-lying spin states of biologically relevant transition metal complexes: a first progress report
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February 2003 |
A reinterpretation of the EPR spectra of Cu(II) in zeolites A, Y and ZK4, based on ab initio cluster model calculations
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January 2001 |
Computationally Exploring Confinement Effects in the Methane-to-Methanol Conversion Over Iron-Oxo Centers in Zeolites
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November 2016 |
Ab initio molecular dynamics for open-shell transition metals
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November 1993 |
Generalized Gradient Approximation Made Simple
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October 1996 |
Projector augmented-wave method
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December 1994 |
The monoclinic framework structure of zeolite H-ZSM-5. Comparison with the orthorhombic framework of as-synthesized ZSM-5
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April 1990 |
Multinuclear gallium-oxide cations in high-silica zeolites
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January 2009 |
Structure−Reactivity Relationship for Catalytic Activity of Gallium Oxide and Sulfide Clusters in Zeolite
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February 2009 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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December 2000 |
Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces
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August 1988 |
The restricted active space self-consistent-field method, implemented with a split graph unitary group approach
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July 1990 |
Second‐order perturbation theory with a complete active space self‐consistent field reference function
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January 1992 |
The restricted active space followed by second-order perturbation theory method: Theory and application to the study of CuO2 and Cu2O2 systems
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May 2008 |
Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set
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December 2003 |
New Relativistic ANO Basis Sets for Transition Metal Atoms
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July 2005 |
Quantum electrodynamical corrections to the fine structure of helium
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January 1974 |
Relativistic electronic-structure calculations employing a two-component no-pair formalism with external-field projection operators
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June 1986 |
A modified definition of the zeroth-order Hamiltonian in multiconfigurational perturbation theory (CASPT2)
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September 2004 |
Multiconfiguration perturbation theory with imaginary level shift
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August 1997 |
Unbiased auxiliary basis sets for accurate two-electron integral approximations
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September 2007 |
Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table : Molcas 8
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November 2015 |
Density-functional exchange-energy approximation with correct asymptotic behavior
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September 1988 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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January 1988 |
Is [FeO] 2+ the Active Center Also in Iron Containing Zeolites? A Density Functional Theory Study of Methane Hydroxylation Catalysis by Fe-ZSM-5 Zeolite
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April 2010 |
Ligand Field Effects and the High Spin–High Reactivity Correlation in the H Abstraction by Non-Heme Iron(IV)–Oxo Complexes: A DFT Frontier Orbital Perspective
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February 2015 |
Mechanism of Oxidation of Ethane to Ethanol at Iron(IV)–Oxo Sites in Magnesium-Diluted Fe 2 (dobdc)
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April 2015 |
Selective anaerobic oxidation of methane enables direct synthesis of methanol
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May 2017 |
Toward the Balance between the Reductionist and Systems Approaches in Computational Catalysis: Model versus Method Accuracy for the Description of Catalytic Systems
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May 2017 |
Carboxylate Binding in Copper Histidine Complexes in Solution and in Zeolite Y: X- and W-band Pulsed EPR/ENDOR Combined with DFT Calculations
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August 2004 |
Study of propane oxidation on Cu-zeolite catalysts by in-situ EPR and IR spectroscopies
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May 2014 |