标题
Mechanism of the Copper/TEMPO-Catalyzed Aerobic Oxidation of Alcohols
作者
关键词
-
出版物
CHEMISTRY-A EUROPEAN JOURNAL
Volume 23, Issue 6, Pages 1368-1378
出版商
Wiley
发表日期
2016-11-10
DOI
10.1002/chem.201604402
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Cooperative electrocatalytic alcohol oxidation with electron-proton-transfer mediators
- (2016) Artavazd Badalyan et al. NATURE
- Selective Alcohol Oxidation by a Copper TEMPO Catalyst: Mechanistic Insights by Simultaneously Coupled Operando EPR/UV-Vis/ATR-IR Spectroscopy
- (2015) Jabor Rabeah et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Catalytic Aerobic Oxidation of Alcohols using Recoverable IAPNO α-Hydrogen Nitroxyl Radicals
- (2015) Sukanta Bar et al. ChemCatChem
- Metallopeptoids as efficient biomimetic catalysts
- (2015) Kaniraj Jeya Prathap et al. CHEMICAL COMMUNICATIONS
- A Case Study of the Mechanism of Alcohol-Mediated Morita Baylis–Hillman Reactions. The Importance of Experimental Observations
- (2015) R. Erik Plata et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Synthesis and stability of cyclic α-hydrogen nitroxides
- (2015) Hila Toledo et al. ORGANIC & BIOMOLECULAR CHEMISTRY
- New copper(II) species from the copper/2,2′-bypyridine and copper/4-dimethylaminopyridine catalyzed aerobic alcohol oxidations
- (2015) E Liu et al. POLYHEDRON
- Design concept for α-hydrogen-substituted nitroxides
- (2015) Michal Amar et al. Nature Communications
- Aerobic oxidation catalysis with stable radicals
- (2014) Qun Cao et al. CHEMICAL COMMUNICATIONS
- Mechanism of Alcohol Oxidation Mediated by Copper(II) and Nitroxyl Radicals
- (2014) Bradford L. Ryland et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Explicitly correlated coupled cluster benchmarks with realistic-sized ligands for some late-transition metal reactions: basis sets convergence and performance of more approximate methods
- (2014) Manoj K. Kesharwani et al. THEORETICAL CHEMISTRY ACCOUNTS
- Nitroxide-catalyzed transition-metal-free aerobic oxidation processes
- (2013) Sebastian Wertz et al. GREEN CHEMISTRY
- NBO 6.0: Natural bond orbital analysis program
- (2013) Eric D. Glendening et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Mechanism of Copper(I)/TEMPO-Catalyzed Aerobic Alcohol Oxidation
- (2013) Jessica M. Hoover et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Double-hybrid density functionals: merging wavefunction and density approaches to get the best of both worlds
- (2013) J. C. Sancho-García et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Organocatalytic oxidation of aldehydes to mixed anhydrides
- (2012) Hila Toledo et al. CHEMICAL COMMUNICATIONS
- Investigating inclusion complexes using quantum chemical methods
- (2012) Mark P. Waller et al. CHEMICAL SOCIETY REVIEWS
- Improved Atoms-in-Molecule Charge Partitioning Functional for Simultaneously Reproducing the Electrostatic Potential and Chemical States in Periodic and Nonperiodic Materials
- (2012) Thomas A. Manz et al. Journal of Chemical Theory and Computation
- Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases
- (2012) Aleksandr V. Marenich et al. Journal of Chemical Theory and Computation
- ATOMIC DIPOLE MOMENT CORRECTED HIRSHFELD POPULATION METHOD
- (2012) TIAN LU et al. JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY
- Organocatalytic Oxidative Dimerization of Alcohols to Esters
- (2012) Alex Szpilman et al. SYNLETT
- Cu(bipy)2+/TEMPO-Catalyzed Oxidation of Alcohols: Radical or Nonradical Mechanism?
- (2011) Paola Belanzoni et al. INORGANIC CHEMISTRY
- An overlap fitted chain of spheres exchange method
- (2011) Róbert Izsák et al. JOURNAL OF CHEMICAL PHYSICS
- Double-Hybrid Density Functionals Provide a Balanced Description of Excited1Laand1LbStates in Polycyclic Aromatic Hydrocarbons
- (2011) Lars Goerigk et al. Journal of Chemical Theory and Computation
- Methods for Computing Accurate Atomic Spin Moments for Collinear and Noncollinear Magnetism in Periodic and Nonperiodic Materials
- (2011) Thomas A. Manz et al. Journal of Chemical Theory and Computation
- Effect of the damping function in dispersion corrected density functional theory
- (2011) Stefan Grimme et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Multiwfn: A multifunctional wavefunction analyzer
- (2011) Tian Lu et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Highly Practical Copper(I)/TEMPO Catalyst System for Chemoselective Aerobic Oxidation of Primary Alcohols
- (2011) Jessica M. Hoover et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections
- (2011) Sebastian Kozuch et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions
- (2011) Lars Goerigk et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- DFT studies on Meisenheimer rearrangement
- (2011) Xiang Zhang Computational and Theoretical Chemistry
- Natural bond orbital methods
- (2011) Eric D. Glendening et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- The ORCA program system
- (2011) Frank Neese Wiley Interdisciplinary Reviews-Computational Molecular Science
- How to Conceptualize Catalytic Cycles? The Energetic Span Model
- (2010) Sebastian Kozuch et al. ACCOUNTS OF CHEMICAL RESEARCH
- Mechanistic insight into alcohol oxidation mediated by an efficient green CuII-bipy catalyst with and without TEMPO by density functional methods
- (2010) Lin Cheng et al. DALTON TRANSACTIONS
- Mechanistic Insight into the Alcohol Oxidation Mediated by an Efficient Green [CuBr2(2,2′-bipy)]-TEMPO Catalyst by Density Functional Method
- (2010) Lin Cheng et al. INORGANIC CHEMISTRY
- A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
- (2010) Stefan Grimme et al. JOURNAL OF CHEMICAL PHYSICS
- Chemically Meaningful Atomic Charges That Reproduce the Electrostatic Potential in Periodic and Nonperiodic Materials
- (2010) Thomas A. Manz et al. Journal of Chemical Theory and Computation
- Efficient Structure Optimization with Second-Order Many-Body Perturbation Theory: The RIJCOSX-MP2 Method
- (2010) Simone Kossmann et al. Journal of Chemical Theory and Computation
- Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions
- (2010) Lars Goerigk et al. Journal of Chemical Theory and Computation
- Automatic analysis of computed catalytic cycles
- (2010) Andreas Uhe et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- DSD-BLYP: A General Purpose Double Hybrid Density Functional Including Spin Component Scaling and Dispersion Correction
- (2010) Sebastian Kozuch et al. Journal of Physical Chemistry C
- Comparison of two efficient approximate Hartee–Fock approaches
- (2009) Simone Kossmann et al. CHEMICAL PHYSICS LETTERS
- Catalytic Activity Dependency on Catalyst Components in Aerobic Copper-TEMPO Oxidation
- (2009) Esa T. T. Kumpulainen et al. CHEMISTRY-A EUROPEAN JOURNAL
- Activation of the C−H Bond by Electrophilic Attack: Theoretical Study of the Reaction Mechanism of the Aerobic Oxidation of Alcohols to Aldehydes by the Cu(bipy)2+/2,2,6,6-Tetramethylpiperidinyl-1-oxy Cocatalyst System
- (2009) Carine Michel et al. INORGANIC CHEMISTRY
- 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
- (2009) Aleksandr V. Marenich et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Theoretical Thermodynamics for Large Molecules: Walking the Thin Line between Accuracy and Computational Cost
- (2008) Tobias Schwabe et al. ACCOUNTS OF CHEMICAL RESEARCH
- Efficient, approximate and parallel Hartree–Fock and hybrid DFT calculations. A ‘chain-of-spheres’ algorithm for the Hartree–Fock exchange
- (2008) Frank Neese et al. CHEMICAL PHYSICS
- Highly Accurate First-Principles Benchmark Data Sets for the Parametrization and Validation of Density Functional and Other Approximate Methods. Derivation of a Robust, Generally Applicable, Double-Hybrid Functional for Thermochemistry and Thermochemical Kinetics†
- (2008) Amir Karton et al. JOURNAL OF PHYSICAL CHEMISTRY A
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