Mechanistic insight into the aerobic oxidation of benzyl alcohol catalyzed by the CuII–TEMPO catalyst in alkaline water solution

DFT studies on the mechanism of alcohol oxidation by the (bpy)CuI-TEMPO/NMI catalytic system

(2015) Lin Cheng et al.   DALTON TRANSACTIONS

Practical Aerobic Oxidations of Alcohols and Amines with Homogeneous Copper/TEMPO and Related Catalyst Systems

(2014) Bradford L. Ryland et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

DFT Study on Mechanism of N-Alkylation of Amino Derivatives with Primary Alcohols Catalyzed by Copper(II) Acetate

(2014) Guo-ming Zhao et al.   ACS Catalysis

Mechanism of Copper(I)-Catalyzed Allylic Alkylation of Phosphorothioate Esters: Influence of the Leaving Group on α Regioselectivity

(2013) Wenhao Sheng et al.   CHEMISTRY-A EUROPEAN JOURNAL

Geometrical Correction for the Inter- and Intramolecular Basis Set Superposition Error in Periodic Density Functional Theory Calculations

(2013) Jan Gerit Brandenburg et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Copper(I)/ABNO-Catalyzed Aerobic Alcohol Oxidation: Alleviating Steric and Electronic Constraints of Cu/TEMPO Catalyst Systems

(2013) Janelle E. Steves et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Continuous-Flow Aerobic Oxidation of Primary Alcohols with a Copper(I)/TEMPO Catalyst

(2013) Jodie F. Greene et al.   ORGANIC PROCESS RESEARCH & DEVELOPMENT

Copper/TEMPO-Catalyzed Aerobic Alcohol Oxidation: Mechanistic Assessment of Different Catalyst Systems

(2013) Jessica M. Hoover et al.   ACS Catalysis

Transition metal based catalysts in the aerobic oxidation of alcohols

(2012) Camilla Parmeggiani et al.   GREEN CHEMISTRY

A geometrical correction for the inter- and intra-molecular basis set superposition error in Hartree-Fock and density functional theory calculations for large systems

(2012) Holger Kruse et al.   JOURNAL OF CHEMICAL PHYSICS

A refinement of everyday thinking: the energetic span model for kinetic assessment of catalytic cycles

(2012) Sebastian Kozuch   Wiley Interdisciplinary Reviews-Computational Molecular Science

CO2Absorption Characteristics in Aqueous K2CO3/Piperazine Solution by NMR Spectroscopy

(2011) Young Eun Kim et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Mild oxidative functionalization of alkanes and alcohols catalyzed by new mono- and dicopper(II) aminopolyalcoholates

(2011) Alexander M. Kirillov et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

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

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

Comment on the Correct Use of Continuum Solvent Models

(2010) Junming Ho et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Aerobic Oxidation of Benzylic Alcohols in Water by 2,2,6,6-Tetramethylpiperidine-1-oxyl (TEMPO)/Copper(II) 2-N-Arylpyrrolecarbaldimino Complexes

(2009) Paweł J. Figiel et al.   ADVANCED SYNTHESIS & CATALYSIS

Aerobic oxidation of benzylic alcohols with bis(3,5-di-tert-butylsalicylaldimine)copper(II) complexes

(2009) Jahir Uddin Ahmad et al.   APPLIED CATALYSIS A-GENERAL

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

Copper-Catalyzed Highly Efficient Aerobic Oxidation of Alcohols under Ambient Conditions

(2008) Nan Jiang et al.   ChemSusChem

Kinetic-Quantum Chemical Model for Catalytic Cycles: The Haber−Bosch Process and the Effect of Reagent Concentration

(2008) Sebastian Kozuch et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS