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Mechanism Insights of Ethane C-H Bond Activations by Bare [Fe-III=O](+): Explicit Electronic Structu
ISSN号:1089-5639
期刊名称:Journal of Physical Chemistry A
时间:2012.2.9
页码:1475-1485
相关项目:高价氧络铁催化碳-氢键活化反应的理论研究
作者:
Sun, Xiao-Li|Huang, Xu-Ri|Li, Ji-Lai|Huo, Rui-Ping|Sun, Chia-Chung|
同期刊论文项目
高价氧络铁催化碳-氢键活化反应的理论研究
期刊论文 25
同项目期刊论文
<span style="font-size: 17pt; font-family: AdvOTce3d9a73;">Large Density-Functional
<br /> Benchmark Study on Methanol C–H and O–H Bond Activation by Bare [FeIVO]2+
Mechanism of benzene hydroxylation by high-valent bare Fe(IV)=O(2+): explicit electronic structure a
Mechanism Study of C4H ((X)over-tilde(2)Sigma(+))+H-2 Reaction by Direct Ab Initio Methods
<span style="font-family: TimesNewRomanPS; font-size: 16pt; font-weight: 700;">Recen
Composition- and Size-Controlled Cyclic Self-Assembly by Solvent- and C-60-Responsive Self-Sorting
Large Equatorial Ligand Effects on C-H Bond Activation by Nonheme Iron(IV)-oxo Complexes
Fe2+活化CH3X (X=H, Cl)中C—H, C—Cl 键的理论研究
Comparison of the Active-Site Design of Molybdenum Oxo-Transfer Enzymes by Quantum Mechanical Calcul
A Theoretical Study of the Reaction of Fe+ with CH3X (X=Cl, Br, I)
<br style="font-family:'Arno Pro';"> A quantum-mechanical study of the re
Composition- and Size-Controlled Cyclic Self-Assembly by Solvent- and C60-Responsive Self-Sorting
Direct ab initio study on the rate constants of radical C-2(A(3)Pi(u))+C3H8 reaction
C4H(2Σ~+)+H2反应机理的直接动力学研究
Fe+与CH3X(X=Cl,Br,I)反应的理论研究
Fe(2+)活化CH_3X(X=H,Cl)中C—H,C—Cl键的理论研究
铂钌团簇及电荷对甲醇活性的理论研究
铂钌团簇活化甲醇C―H和O―H键的理论研究
氢气吸附的密度泛函理论方法的基准研究
ACB三嵌段粒子分级自组装的布朗动力学研究
MH^+(M=Fe,Co,Ni)催化二氧化碳的氢化反应