相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。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)
What factors tune the chemical equilibrium between metal-iodosylarene oxidants and high-valent metal-oxo ones?
Lili Yang et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2019)
Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C-H activation reactivity
Ethan A. Hill et al.
CHEMICAL SCIENCE (2018)
Structure and Reactivity of a Mononuclear Nonheme Manganese(III)-Iodosylarene Complex
Donghyun Jeong et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2018)
Mutable Properties of Nonheme Iron(III)-Iodosylarene Complexes Result in the Elusive Multiple-Oxidant Mechanism
Yiran Kang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
Electrostatic and Charge-Induced Methane Activation by a Concerted Double C-H Bond Insertion
Caiyun Geng et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2017)
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)
Hidden Hydride Transfer as a Decisive Mechanistic Step in the Reactions of the Unligated Gold Carbide [AuC]+ with Methane under Ambient Conditions
Jilai Li et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Advances in Synthetic Applications of Hypervalent Iodine Compounds
Akira Yoshimura et al.
CHEMICAL REVIEWS (2016)
Iodosylbenzene and iodylbenzene adducts of cerium(IV) complexes bearing chelating oxygen ligands
Ka-Chun Au-Yeung et al.
DALTON TRANSACTIONS (2016)
Performance of density functional theory on the anisotropic halogen•••halogen interactions and potential energy surface: Problems and possible solutions
Fang Liu et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2016)
Oxidation of Aryl Diphenylmethyl Sulfides Promoted by a Nonheme Iron(IV)-Oxo Complex: Evidence for an Electron Transfer-Oxygen Transfer Mechanism
Alessia Barbieri et al.
JOURNAL OF ORGANIC CHEMISTRY (2016)
Singlet versus Triplet Reactivity in an Mn(V)-Oxo Species: Testing Theoretical Predictions Against Experimental Evidence
Tzuhsiung Yang et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)
Mononuclear Nonheme Iron(III)-Iodosylarene and High-Valent Iron-Oxo Complexes in Olefin Epoxidation Reactions
Bin Wang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2015)
Highly Reactive Nonheme Iron(III) Iodosylarene Complexes in Alkane Hydroxylation and Sulfoxidation Reactions
Seungwoo Hong et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)
Exploring Oxidation of Half-Sandwich Rhodium Complexes: Oxygen Atom Insertion into the Rhodium-Carbon Bond of κ2-Coordinated 2-Phenylpyridine
Christopher R. Turlington et al.
ORGANOMETALLICS (2014)
Oxygen-Atom Transfer from Iodosylarene Adducts of a Manganese(IV) Salen Complex: Effect of Arenes and Anions on I(III) of the Coordinated Iodosylarene
Chunlan Wang et al.
INORGANIC CHEMISTRY (2013)
Mononuclear Metal-O2 Complexes Bearing Macrocyclic N-Tetramethylated Cyclam Ligands
Jaeheung Cho et al.
ACCOUNTS OF CHEMICAL RESEARCH (2012)
Structure and Reactivity of an Iodosylarene Adduct of a Manganese(IV)-Salen Complex
Chunlan Wang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
An Iron(III) Iodosylbenzene Complex: A Masked Non-Heme (FeO)-O-V
Anders Lennartson et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Spectroscopic observation of iodosylarene metalloporphyrin adducts and manganese(V)-oxo porphyrin species in a cytochrome P450 analogue
Mian Guo et al.
NATURE COMMUNICATIONS (2012)
Understanding Hydrogen Atom Transfer: From Bond Strengths to Marcus Theory
James M. Mayer
ACCOUNTS OF CHEMICAL RESEARCH (2011)
A combined experimental and computational study on the sulfoxidation by high-valent iron bispidine complexes
Madhavan Jaccob et al.
DALTON TRANSACTIONS (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
C-H Bond Activations by Metal Oxo Compounds
Ahmet Gunay et al.
CHEMICAL REVIEWS (2010)
Valence bond modelling and density functional theory calculations of reactivity and mechanism of cytochrome P450 enzymes: thioether sulfoxidation
Sason Shaik et al.
FARADAY DISCUSSIONS (2010)
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)
Activation of hydrocarbon C-H bonds by iodosylbenzene: how does it compare with iron(IV)-oxo oxidants?
Soo Jeong Kim et al.
CHEMICAL COMMUNICATIONS (2009)
Molecular Iodine Stabilization in an Extended N•••I-I•••N Assembly
Francesco Isaia et al.
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2009)
Effect of Porphyrin Ligands on the Regioselective Dehydrogenation versus Epoxidation of Olefins by Oxoiron(IV) Mimics of Cytochrome P450
Devesh Kumar et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Chemistry of Polyvalent Iodine
Viktor V. Zhdankin et al.
CHEMICAL REVIEWS (2008)
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
Yan Zhao et al.
THEORETICAL CHEMISTRY ACCOUNTS (2008)
Fascinating inorganic/bioinorganic reaction mechanisms
Rudi van Eldik
COORDINATION CHEMISTRY REVIEWS (2007)
Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: A tale of many states
Sason Shaik et al.
ACCOUNTS OF CHEMICAL RESEARCH (2007)
High-valent iron(IV)-oxo complexes of heme and non-heme ligands in oxygenation reactions
Wonwoo Nam
ACCOUNTS OF CHEMICAL RESEARCH (2007)
Basis set exchange: A community database for computational sciences
Karen L. Schuchardt et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2007)
Which oxidant is really responsible for sulfur oxidation by cytochrome p450?
Chunsen Li et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes
S Shaik et al.
CHEMICAL REVIEWS (2005)
Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model
M Cossi et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Mechanism of the oxidation of aromatic sulfides catalysed by a water soluble iron porphyrin
E Baciocchi et al.
ORGANIC & BIOMOLECULAR CHEMISTRY (2003)
Two-state reactivity mechanisms of hydroxylation and epoxidation by cytochrome P-450 revealed by theory
S Shaik et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2002)
Anionic ligand effect on the nature of epoxidizing intermediates in iron porphyrin complex-catalyzed epoxidation reactions
W Nam et al.
INORGANIC CHEMISTRY (2002)
Recent developments in the chemistry of polyvalent iodine compounds
VV Zhdankin et al.
CHEMICAL REVIEWS (2002)
Calculation of electronic g-tensors for transition metal complexes using hybrid density functionals and atomic meanfield spin-orbit operators
M Kaupp et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2002)
Multiple active oxidants in cytochrome P-450 model oxidations
JP Collman et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
A model rebound mechanism of hydroxylation by cytochrome P450: Stepwise and effectively concerted pathways, and their reactivity patterns
F Ogliaro et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Geometric and electronic structure/function correlations in non-heme iron enzymes
EI Solomon et al.
CHEMICAL REVIEWS (2000)