The gas surge
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June 2014
Homogeneous Functionalization of Methane
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March 2017
Designing Catalysts for Functionalization of Unactivated C–H Bonds Based on the CH Activation Reaction
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January 2012
Electrophilic methane conversion
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November 1987
Super acids. III. Protonation of alkanes and intermediacy of alkanonium ions, pentacoordinated carbon cations of CH5+ type. Hydrogen exchange, protolytic cleavage, hydrogen abstraction; polycondensation of methane, ethane, 2,2-dimethylpropane and 2,2,3,3-tetramethylbutane in FSO3H-SbF5
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June 1969
Electrophilic reactions at single bonds. III. H-D exchange and protolysis (deuterolysis) of alkanes with superacids. The mechanism of acid-catalyzed hydrocarbon transformation reactions involving the .sigma. electron pair donor ability of single bonds via three-center bond formation
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March 1971
Electrophilic reactions at single bonds. XII. Hydrogen-deuterium exchange, protolysis (deuterolysis), and oligocondensation of alkanes with superacids
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July 1973
Chemistry in super acids. I. Hydrogen exchange and polycondensation of methane and alkanes in FSO3H-SbF5 ("magic acid") solution. Protonation of alkanes and the intermediacy of CH5+ and related hydrocarbon ions. The high chemical reactivity of "paraffins" in ionic solution reactions
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May 1968
Understanding and exploiting C–H bond activation
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May 2002
C–H activation
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March 2007
Evolution of C–H Bond Functionalization from Methane to Methodology
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December 2015
Undirected, Homogeneous C–H Bond Functionalization: Challenges and Opportunities
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May 2016
From Pd(OAc) 2 to Chiral Catalysts: The Discovery and Development of Bifunctional Mono-N-Protected Amino Acid Ligands for Diverse C–H Functionalization Reactions
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March 2020
3d Transition Metals for C–H Activation
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October 2018
The Direct Conversion of Methane to Methanol (DMTM)
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January 1992
Methane Oxidation by Aqueous Osmium Tetroxide and Sodium Periodate: Inhibition of Methanol Oxidation by Methane
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November 2006
Selective Hydroxylation of Methane by Dioxiranes under Mild Conditions
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March 2011
Directive Effects in Aliphatic Substitutions. XXV. Reactivity of Aralkanes, Aralkenes, and Benzylic Ethers toward Peroxy Radicals
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June 1964
Mechanism of Hydrocarbon Functionalization by an Iodate/Chloride System: The Role of Ester Protection
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March 2018
DFT Mechanistic Study of Methane Mono-Esterification by Hypervalent Iodine Alkane Oxidation Process
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May 2019
A Pd III Sulfate Dimer Initiates Rapid Methane Monofunctionalization by H Atom Abstraction
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Catalytic Functionalization of Carbon−Hydrogen and Carbon−Carbon Bonds in Protic Media
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September 1998
New Catalyst Systems for the Catalytic Conversion of Methane into Methanol
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May 2002
Activation and Catalytic Reactions of Alkanes in Solutions of Metal Complexes
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May 1987
Activation of C−H Bonds by Metal Complexes
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December 1997
Homogeneous Oxidation of Alkanes by Electrophilic Late Transition Metals
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September 1998
A Mercury-Catalyzed, High-Yield System for the Oxidation of Methane to Methanol
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January 1993
Platinum Catalysts for the High-Yield Oxidation of Methane to a Methanol Derivative
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April 1998
Superacid Chemistry
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January 2009
Selective electrophilic activation of alkanes
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July 1993
Hydrocarbon oxidation by antimony pentafluoride
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May 1990
Electrophilic Substitution at methane: Short communication
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January 1968
Formation of trimethylcarbonium ions from isobutane and protons. Basicity of isobutene: (Short communication)
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January 1967
Chemistry and spectroscopy in strongly acidic solutions: electrophilic substitution at alkane-carbon by protons
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January 1967
Supermetal: SbF 5 -mediated methane oxidation occurs by C–H activation and isobutane oxidation occurs by hydride transfer
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January 2019
An application of ion equilibria measurements
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January 1982
Main-Group Compounds Selectively Oxidize Mixtures of Methane, Ethane, and Propane to Alcohol Esters
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March 2014
Contrasting Mechanisms and Reactivity of Tl(III), Hg(II), and Co(III) for Alkane C–H Functionalization
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November 2015
Facile and Selective Carbonylation of Methane in Superacids
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December 2002
Trapping of the methyl cation by carbon monoxide; formation of acetic acid from methane
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January 1969
Selective C−H Functionalization of Methane and Ethane by a Molecular Sb V Complex
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January 2019
Catalytic Mechanism and Efficiency of Methane Oxidation by Hg(II) in Sulfuric Acid and Comparison to Radical Initiated Conditions
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June 2016
C–H activation in strongly acidic media. The co-catalytic effect of the reaction medium
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January 2009
Product Protection, the Key to Developing High Performance Methane Selective Oxidation Catalysts
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December 2009
A Detailed Theoretical Study of the Mechanism and Energetics of Methane to Methanol Conversion by Cisplatin and Catalytica
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January 2007
Semiempirical hybrid density functional with perturbative second-order correlation
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January 2006
Effect of the damping function in dispersion corrected density functional theory
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March 2011
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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January 2005
Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
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December 2010
The ORCA program system: The ORCA program system
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June 2011
The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals
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July 2007
Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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November 1994
Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections
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January 2008
Toward reliable density functional methods without adjustable parameters: The PBE0 model
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April 1999
Climbing the Density Functional Ladder: Nonempirical Meta–Generalized Gradient Approximation Designed for Molecules and Solids
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September 2003
The path of chemical reactions - the IRC approach
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December 1981
Automated exploration of the low-energy chemical space with fast quantum chemical methods
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January 2020
Robust Atomistic Modeling of Materials, Organometallic, and Biochemical Systems
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May 2020
Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions
Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.
The Journal of Physical Chemistry B, Vol. 113, Issue 18, p. 6378-6396
https://doi.org/10.1021/jp810292n
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Electrophilic, Ambiphilic, and Nucleophilic C−H Bond Activation: Understanding the Electronic Continuum of C−H Bond Activation Through Transition-State and Reaction Pathway Interaction Energy Decompositions
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Reversible Protonation of Isobutane in Liquid Superacids in Competition with Protolytic Ionization
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April 1997
A theoretical study of alkane protonation in HF/SbF5 superacid system
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January 2000
DFT Calculations on the Protonation of Alkanes on HF/SbF 5 Superacids Using Cluster Models
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May 2001
Superacid-Promoted Ionization of Alkanes Without Carbonium Ion Formation: A Density Functional Theory Study
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October 2012