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在“
ACS电子期刊
”中,
命中:
191
条,耗时:小于0.01 秒
在所有数据库中总计命中:
14
条
1.
Electrostatic and Charge-Induced Methane Activation by a Concerted Double C–H Bond Insertion
作者:
Caiyun Geng
;
Jilai LiThomas Weiske
;
Maria Schlangen
;
Sason
Shaik
;
Helmut Schwarz
刊名:Journal of the American Chemical Society
出版年:2017
2.
Theory Revealing Unusual Non-Rebound Mechanisms Responsible for the Distinct Reactivities of O═MnIV═O and [HO–MnIV–OH]2+ in C–H Bond Activation
作者:
Dibyendu Mallick
;
Sason
Shaik
刊名:ACS Catalysis
出版年:2016
3.
Selective Chlorination of Substrates by the Halogenase SyrB2 Is Controlled by the Protein According to a Combined Quantum Mechanics/Molecular Mechanics and Molecular Dynamics Study
作者:
Jing Huang
;
Chunsen Li
;
Binju Wang
;
Dina A. Sharon
;
Wei Wu
;
Sason
Shaik
刊名:ACS Catalysis
出版年:2016
4.
Computation Sheds Insight into Iron Porphyrin Carbenes’ Electronic Structure, Formation, and N–H Insertion Reactivity
作者:
Dina A. Sharon
;
Dibyendu Mallick
;
Binju Wang
;
Sason
Shaik
刊名:Journal of the American Chemical Society
出版年:2016
5.
Emergence of Function in P450-Proteins: A Combined Quantum Mechanical/Molecular Mechanical and Molecular Dynamics Study of the Reactive Species in the H2O2-Dependent Cytochrome P450SPα and Its Regio- and Enantioselective Hydroxylation of Fatty Acids
作者:
Rajeev Ramanan
;
Kshatresh Dutta Dubey
;
Binju Wang
;
Debasish Mandal
;
Sason
Shaik
刊名:Journal of the American Chemical Society
出版年:2016
6.
Electronic Origins of the Variable Efficiency of Room-Temperature Methane Activation by Homo- and Heteronuclear Cluster Oxide Cations [XYO2]+ (X, Y = Al, Si, Mg): Competition between Proton-Coupled Electron Transfer and Hydrogen-Atom Transfer
作者:
Jilai Li
;
Shaodong Zhou
;
Jun Zhang
;
Maria Schlangen
;
Thomas Weiske
;
Dandamudi Usharani
;
Sason
Shaik
;
Helmut Schwarz
刊名:Journal of the American Chemical Society
出版年:2016
7.
How do Enzymes Utilize Reactive OH Radicals? Lessons from Nonheme HppE and Fenton Systems
作者:
Binju Wang
;
Jiarui Lu
;
Kshatresh Dutta Dubey
;
Geng Dong
;
Wenzhen Lai
;
Sason
Shaik
刊名:Journal of the American Chemical Society
出版年:2016
8.
Two-State Reactivity in Low-Valent Iron-Mediated C–H Activation and the Implications for Other First-Row Transition Metals
作者:
Yihua Sun
;
Hao Tang
;
Kejuan Chen
;
Lianrui Hu
;
Jiannian Yao
;
Sason
Shaik
;
Hui Chen
刊名:Journal of the American Chemical Society
出版年:2016
9.
Interplay of Tunneling, Two-State Reactivity, and Bell–Evans–Polanyi Effects in C–H Activation by Nonheme Fe(IV)O Oxidants
作者:
Debasish Mandal
;
Sason
Shaik
刊名:Journal of the American Chemical Society
出版年:2016
10.
Molecular Dynamics and QM/MM Calculations Predict the Substrate-Induced Gating of Cytochrome P450 BM3 and the Regio- and Stereoselectivity of Fatty Acid Hydroxylation
作者:
Kshatresh Dutta Dubey
;
Binju Wang
;
Sason
Shaik
刊名:Journal of the American Chemical Society
出版年:2016
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