Related references
Note: Only part of the references are listed.Catalysis for Selected C1 Chemistry
Yanting Liu et al.
CHEM (2020)
Advances in Sustainable Catalysis: A Computational Perspective
Matthew G. Quesne et al.
FRONTIERS IN CHEMISTRY (2019)
Direct Methane Conversion under Mild Condition by Thermo-, Electro-, or Photocatalysis
Xianguang Meng et al.
CHEM (2019)
A Reaction-Induced Localization of Spin Density Enables Thermal C-H Bond Activation of Methane by Pristine FeC4+
Caiyun Geng et al.
CHEMISTRY-A EUROPEAN JOURNAL (2019)
Intrinsic Reactivity of Diatomic 3d Transition-Metal Carbides in the Thermal Activation of Methane: Striking Electronic Structure Effects
Caiyun Geng et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Promotion Effect of Methane Activation on Cu(111) by the Surface-Active Oxygen Species: A Combination of DFT and ReaxFF Study
Jie Wang et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Methane Activation by Gas Phase Atomic Clusters
Yan-Xia Zhao et al.
ACCOUNTS OF CHEMICAL RESEARCH (2018)
Electronic Effects on Room-Temperature, Gas-Phase C-H Bond Activations by Cluster Oxides and Metal Carbides: The Methane Challenge
Helmut Schwarz et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
A New Approach to Models of the 4,5-Dihydroxycyclopentenone Core of the Kodaistatins A-D: Elucidation of the Diol Configuration in Kodaistatin A
David Peter et al.
CHEMISTRY-A EUROPEAN JOURNAL (2017)
Homogeneous Functionalization of Methane
Niles Jensen Gunsalus et al.
CHEMICAL REVIEWS (2017)
Mechanistic Variants in Gas-Phase Metal-Oxide Mediated Activation of Methane at Ambient Conditions
Jilai Li et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Progress in the direct catalytic conversion of methane to fuels and chemicals
Canan Karakaya et al.
PROGRESS IN ENERGY AND COMBUSTION SCIENCE (2016)
Promotional effects of chemisorbed oxygen and hydroxide in the activation of C-H and O-H bonds over transition metal surfaces
David Hibbitts et al.
SURFACE SCIENCE (2016)
Methane activation by gold-doped titanium oxide cluster anions with closed-shell electronic structures
Yan-Xia Zhao et al.
CHEMICAL SCIENCE (2016)
Insights into the synergistic role of metal-lattice oxygen site pairs in four-centered C-H bond activation of methane: the case of CuO
Jithin John Varghese et al.
CATALYSIS SCIENCE & TECHNOLOGY (2016)
A density functional theory study on the effect of silica support: Methane activation on nickel oxide clusters through a radical mechanism
Yanyan Xi et al.
COMPUTATIONAL AND THEORETICAL CHEMISTRY (2016)
Oxidative methane activation over yttrium stabilised zirconia
C. S. Cooper et al.
CHEMICAL COMMUNICATIONS (2015)
Methane Activation by Iron-Carbide Cluster Anions FeC6-
Hai-Fang Li et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)
Chemisorbed oxygen atom on the activation of C-H bond in methane: a Rh model study
Ying-Qi Wang et al.
RSC ADVANCES (2015)
Methane Activation by Heterogeneous Catalysis
Raimund Horn et al.
CATALYSIS LETTERS (2015)
Molecular Metal Catalysts on Supports: Organometallic Chemistry Meets Surface Science
Pedro Serna et al.
ACCOUNTS OF CHEMICAL RESEARCH (2014)
Methane activation: the past and future
Pei Tang et al.
ENERGY & ENVIRONMENTAL SCIENCE (2014)
How and Why Do Cluster Size, Charge State, and Ligands Affect the Course of Metal-Mediated Gas-Phase Activation of Methane?
Helmut Schwarz
ISRAEL JOURNAL OF CHEMISTRY (2014)
Insight into the general rule for the activation of the X-H bonds (X = C, N, O, S) induced by chemisorbed oxygen atoms
Bin Xing et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Methane as raw material in synthetic chemistry: the final frontier
Ana Caballero et al.
CHEMICAL SOCIETY REVIEWS (2013)
C-H Bond Activation by Oxygen-Centered Radicals over Atomic Clusters
Xun-Lei Ding et al.
ACCOUNTS OF CHEMICAL RESEARCH (2012)
Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way
Wenzhen Lai et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Thermal Hydrogen-Atom Transfer from Methane: The Role of Radicals and Spin States in Oxo-Cluster Chemistry
Nicolas Dietl et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Unraveling the Reaction Mechanism for Nickel-Catalyzed Oxidative Dehydrogenation of Ethane by DFT: The C-H Bond Activation Step and Its Following Pathways
Xufeng Lin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2012)
Statistical Analysis of Past Catalytic Data on Oxidative Methane Coupling for New Insights into the Composition of High-Performance Catalysts
Ulyana Zavyalova et al.
CHEMCATCHEM (2011)
C-H bond activation of methane on clean and oxygen pre-covered metals: A systematic theoretical study
Bin Xing et al.
JOURNAL OF CATALYSIS (2011)
Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state
Shengfa Ye et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Minimally augmented Karlsruhe basis sets
Jingjing Zheng et al.
THEORETICAL CHEMISTRY ACCOUNTS (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Atomic layer deposition of TiO2 from Til4 and H2O onto SiO2 surfaces:: Ab initio calculations of the initial reaction mechanisms
Zheng Hu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Thermal activation of methane by tetranuclear [V4O10](+)
Sandra Feyel et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
Mechanisms of methane activation and transformation on molybdenum oxide based catalysts
G Fu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Accurate reaction paths using a Hessian based predictor-corrector integrator
HP Hratchian et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Bond dissociation energies of organic molecules
SJ Blanksby et al.
ACCOUNTS OF CHEMICAL RESEARCH (2003)
Reactions of vanadium oxide cluster ions with 1,3-butadiene and isomers of butene
RC Bell et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Methane activation by transition-metal oxides, MOx (M = Cr, Mo, W; x = 1, 2, 3)
X Xu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Direct conversion of methane into oxygenates
K Otsuka et al.
APPLIED CATALYSIS A-GENERAL (2001)
Correlation consistent valence basis sets for use with the Stuttgart-Dresden-Bonn relativistic effective core potentials: The atoms Ga-Kr and In-Xe
JML Martin et al.
JOURNAL OF CHEMICAL PHYSICS (2001)