Related references
Note: Only part of the references are listed.Iron- and Ruthenium-Catalyzed C-N Bond Formation Reactions. Reactive Metal Imido/Nitrene Intermediates
Yungen Liu et al.
ACS CATALYSIS (2023)
Comparison of the Performance of Density Functional Methods for the Description of Spin States and Binding Energies of Porphyrins
Pierpaolo Morgante et al.
MOLECULES (2023)
Methane Oxidation to Methanol
Nicholas F. Dummer et al.
CHEMICAL REVIEWS (2023)
The Local Coordination Effects on the Reactivity and Speciation of Active Sites in Graphene-Embedded Single-Atom Catalysts over Wide pH and Potential Range
Milica S. S. Ritopecki et al.
NANOMATERIALS (2022)
Partial oxidation of methane to methanol on boron nitride at near critical acetonitrile
Tharindu Kankanam Kapuge et al.
SCIENTIFIC REPORTS (2022)
Recent Advances in Photocatalytic Oxidation of Methane to Methanol
Gita Yuniar et al.
MOLECULES (2022)
Single-atom Pt catalysts as oxidase mimic for p-benzoquinone and ?-glucosidase activity detection
Ge Kang et al.
CHEMICAL ENGINEERING JOURNAL (2022)
Exploring the optoelectronic and third-order nonlinear optical susceptibility of cross-shaped molecules: insights from molecule to material level
Rao Aqil Shehzad et al.
JOURNAL OF MOLECULAR MODELING (2021)
Single-Atom Catalysts Derived from Metal-Organic Frameworks for Electrochemical Applications
Lianli Zou et al.
SMALL (2021)
Advances of single-atom catalysts for applications in persulfate-based advanced oxidation technologies
Xiaolei Wang et al.
CURRENT OPINION IN CHEMICAL ENGINEERING (2021)
Mechanistic Insights into Direct Methane Oxidation to Methanol on Single-Atom Transition-Metal-Modified Graphyne
Lakshitha Jasin Arachchige et al.
ACS APPLIED NANO MATERIALS (2021)
Single-Atom Catalysts
Manoj B. Gawande et al.
ADVANCED MATERIALS INTERFACES (2021)
Classification of So-Called Non-Covalent Interactions Based on VSEPR Model
Slawomir J. Grabowski
MOLECULES (2021)
Single Atom Catalysts: A Review of Characterization Methods
Matthew Kottwitz et al.
CHEMISTRYMETHODS (2021)
Partial oxidation of methane to methanol by isolated Pt catalyst supported on a CeO2 nanoparticle
So-Hwang Kye et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Atomically dispersed Pt-N4 sites as efficient and selective electrocatalysts for the chlorine evolution reaction
Taejung Lim et al.
NATURE COMMUNICATIONS (2020)
Insights into the Electronic Properties and Charge Transfer Mechanism of a Porphyrin Ruthenium-Based Metal-Organic Framework
Andres Ortega-Guerrero et al.
CHEMISTRY OF MATERIALS (2020)
The direct molecular oxygen partial oxidation of CH4 to dimethyl ether without methanol formation over a Pt/Y2O3 catalyst using an NO/NO2 oxygen atom shuttle
Vibin Vargheese et al.
JOURNAL OF CATALYSIS (2020)
Inducing Open-Shell Character in Porphyrins through Surface-Assisted Phenalenyl π-Extension
Qiang Sun et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Single cell transcriptomics identifies a signaling network coordinating endoderm and mesoderm diversification during foregut organogenesis
Lu Han et al.
NATURE COMMUNICATIONS (2020)
Conversion of Methane into Liquid Fuels-Bridging Thermal Catalysis with Electrocatalysis
Shuai Yuan et al.
ADVANCED ENERGY MATERIALS (2020)
Electronic Control of Spin-Crossover Properties in Four-Coordinate Bis(formazanate) Iron(II) Complexes
Francesca Milocco et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
The effect of the oxidation state of the metal center in metalloporphyrins on the electrocatalytic CO2-to-CO conversion: A density functional theory study
Henry Cove et al.
MOLECULAR CATALYSIS (2020)
Seven Coordinated Molecular Ruthenium-Water Oxidation Catalysts: A Coordination Chemistry Journey
Roc Matheu et al.
CHEMICAL REVIEWS (2019)
Continuous Partial Oxidation of Methane to Methanol Catalyzed by Diffusion-Paired Copper Dimers in Copper-Exchanged Zeolites
Kimberly T. Dinh et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2019)
Recent Progress in Direct Conversion of Methane to Methanol Over Copper-Exchanged Zeolites
Min Bum Park et al.
FRONTIERS IN CHEMISTRY (2019)
Understanding non-covalent interactions in larger molecular complexes from first principles
Yasmine S. Al-Hamdani et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Axial vs. Equatorial Ligand Rivalry in Controlling the Reactivity of Iron(IV)-Oxo Species: Single-State vs. Two-State Reactivity
Ravi Kumar et al.
CHEMISTRY-A EUROPEAN JOURNAL (2018)
A Kinetic Study of Methane Partial Oxidation over Fe-ZSM-5 Using N2O as an Oxidant
Ying Kit Chow et al.
CHEMPHYSCHEM (2018)
Arylruthenium(III) Porphyrin-Catalyzed C-H Oxidation and Epoxidation at Room Temperature and [Ru-v(Por)(O)(Ph)] Intermediate by Spectroscopic Analysis and Density Functional Theory Calculations
Ka-Pan Shing et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
The Role of Seven-Coordination in Ru-Catalyzed Water Oxidation
Roc Matheu et al.
ACS CATALYSIS (2018)
Viewpoint on the Partial Oxidation of Methane to Methanol Using Cu- and Fe-Exchanged Zeolites
Kimberly T. Dinh et al.
ACS CATALYSIS (2018)
Flexible Porphyrinoids
Bartosz Szyszko et al.
CHEMICAL REVIEWS (2017)
Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions
Ewa Pastorczak et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
The atomic simulation environment-a Python library for working with atoms
Ask Hjorth Larsen et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2017)
The Direct Catalytic Oxidation of Methane to Methanol-A Critical Assessment
Manoj Ravi et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)
High-valent metal-oxo complexes generated in catalytic oxidation reactions using water as an oxygen source
Shunichi Fukuzumi et al.
COORDINATION CHEMISTRY REVIEWS (2017)
Introduction: Noncovalent Interactions
Pavel Hobza et al.
CHEMICAL REVIEWS (2016)
Porphyrins as Photoredox Catalysts: Experimental and Theoretical Studies
Katarzyna Rybicka Jasinska et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
A review of the direct oxidation of methane to methanol
Baozhai Han et al.
CHINESE JOURNAL OF CATALYSIS (2016)
The Kinetic Isotope Effect as a Probe of Spin Crossover in the C-H Activation of Methane by the FeO+ Cation
Binh Khanh Mai et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Conformational control of cofactors in nature - the influence of protein-induced macrocycle distortion on the biological function of tetrapyrroles
Mathias O. Senge et al.
CHEMICAL COMMUNICATIONS (2015)
Oxidation of methane by an N-bridged high-valent diiron-oxo species: electronic structure implications on the reactivity
Mursaleem Ansari et al.
DALTON TRANSACTIONS (2015)
Interplay of Experiment and Theory in Elucidating Mechanisms of Oxidation Reactions by a Nonheme RuIVO Complex
Sunder N. Dhuri et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2015)
Doping ruthenium complexes into a molecular spin-crossover material
Laurence J. Kershaw Cook et al.
POLYHEDRON (2015)
Methane Activation by Heterogeneous Catalysis
Raimund Horn et al.
CATALYSIS LETTERS (2015)
Chemical Transformations and Photophysical Properties of meso-Tetrathienyl-Substituted Porphyrin Derivatives
Patricia Betoni Momo et al.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY (2014)
DFT Mechanistic Proposal of the Ruthenium Porphyrin-Catalyzed Allylic Amination by Organic Azides
Gabriele Manca et al.
ACS CATALYSIS (2014)
Mechanistic Insights into Ruthenium-Catalyzed Production of H2 and CO2 from Methanol and Water: A DFT Study
Xinzheng Yang
ACS CATALYSIS (2014)
The Pnicogen Bond: Its Relation to Hydrogen, Halogen, and Other Noncovalent Bonds
Steve Scheiner
ACCOUNTS OF CHEMICAL RESEARCH (2013)
Tetrabenzoporphyrins: synthetic developments and applications
Carla Marisa Brito Carvalho et al.
CHEMICAL SOCIETY REVIEWS (2013)
Catalytic partial oxidation of methane on platinum investigated by spatial reactor profiles, spatially resolved spectroscopy, and microkinetic modeling
Oliver Korup et al.
JOURNAL OF CATALYSIS (2013)
Experimental study and kinetics modeling of partial oxidation reactions in heavily sooting laminar premixed methane flames
Qingxun Li et al.
CHEMICAL ENGINEERING JOURNAL (2012)
Mechanistic insight into catalytic oxidations of organic compounds by ruthenium(IV)-oxo complexes with pyridylamine ligands
Shingo Ohzu et al.
CHEMICAL SCIENCE (2012)
Direct methane conversion routes to chemicals and fuels
M. C. Alvarez-Galvan et al.
CATALYSIS TODAY (2011)
A Low-Spin Ruthenium(IV)-Oxo Complex: Does the Spin State Have an Impact on the Reactivity?
Takahiko Kojima et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)
Revealing Noncovalent Interactions
Erin R. Johnson et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Chemical bonding and aromaticity in metalloporphyrins1,2
Ferran Feixas et al.
CANADIAN JOURNAL OF CHEMISTRY (2009)
Direct conversion of methane to fuels and chemicals
Anders Holmen
CATALYSIS TODAY (2009)
The Accuracy of Geometries for Iron Porphyrin Complexes from Density Functional Theory
Patrik Rydberg et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst
Alex J. W. Thom et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)
Non-covalent interactions in biomacromolecules
Jiri Cerny et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
Accurate Coulomb-fitting basis sets for H to Rn
F Weigend
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2006)
Comparative studies on direct conversion of methane to methanol/formaldehyde over La-Co-O and ZrO2 supported molybdenum oxide catalysts
X Zhang et al.
TOPICS IN CATALYSIS (2005)
Selective oxidation of methane by the bis(μ-oxo)dicopper core stabilized on ZSM-5 and mordenite zeolites
MH Groothaert 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)
Partial oxidation of methane to formaldehyde and methanol using molecular oxygen over Fe-ZSM-5
B Michalkiewicz
APPLIED CATALYSIS A-GENERAL (2004)
UCSF chimera - A visualization system for exploratory research and analysis
EF Pettersen et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Oxidation of C-H bonds by [(bpy)2(py)RuIVO]2+ occurs by hydrogen atom abstraction
JR Bryant et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
Is the ruthenium analogue of compound I of cytochrome P450 an efficient oxidant? A theoretical investigation of the methane hydroxylation reaction
PK Sharma et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
The role of Na-montmorillonite in the evolution of copper, nickel, and vanadyl geoporphyrins during diagenesis
NS Foster et al.
ORGANIC GEOCHEMISTRY (2002)
Catalytic conversion of methane to more useful chemicals and fuels: a challenge for the 21st century
JH Lunsford
CATALYSIS TODAY (2000)
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Ionization energy of methylene revisited:: Improved values for the enthalpy of formation of CH2 and the bond dissociation energy of CH3 via simultaneous solution of the local thermochemical network (vol 103A, pg 8631, 1999)
B Ruscic et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)
Molden: a pre- and post-processing program for molecular and electronic structures
G Schaftenaar et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2000)
Noncovalent interactions: A challenge for experiment and theory
K Muller-Dethlefs et al.
CHEMICAL REVIEWS (2000)