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Journal of Chemical Theory and Computation
|
November 26, 2015
Bonding Conundrums in the C2 Molecule: A Valence Bond Study
Peifeng Su, Jifang Wu, Junjing Gu, et al.
The Journal of Physical Chemistry. B
|
November 21, 2007
QM/MM study of the active species of the human cytochrome P450 3A4, and the influence thereof of the multiple substrate binding
Dan Fishelovitch, Carina Hazan, Hajime Hirao, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 21, 2012
Correlating DFT-calculated energy barriers to experiments in nonheme octahedral Fe(IV)O species
Kyung-Bin Cho, Eun Jeong Kim, Mi Sook Seo, et al.
Journal of the American Chemical Society
|
June 17, 2016
How do Enzymes Utilize Reactive OH Radicals? Lessons from Nonheme HppE and Fenton Systems
Binju Wang, Jiarui Lu, Kshatresh Dutta Dubey, et al.
Biochemistry
|
June 1, 2005
Sulfoxidation mechanisms catalyzed by cytochrome P450 and horseradish peroxidase models: spin selection induced by the ligand
Devesh Kumar, Sam P de Visser, Pankaz K Sharma, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 14, 2009
An excursion from normal to inverted C-C bonds shows a clear demarcation between covalent and charge-shift C-C bonds
Sason Shaik, Zhenhua Chen, Wei Wu, et al.
Angewandte Chemie (International Ed. in English)
|
May 14, 2019
Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments
Donald G Truhlar, Philippe C Hiberty, Sason Shaik, et al.
Angewandte Chemie (International Ed. in English)
|
July 22, 2020
Corrigendum: Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments
Donald G Truhlar, Philippe C Hiberty, Sason Shaik, et al.
Journal of the American Chemical Society
|
October 25, 2022
How Do Preorganized Electric Fields Function in Catalytic Cycles? The Case of the Enzyme Tyrosine Hydroxylase
Wei Peng, Shengheng Yan, Xuan Zhang, et al.
Angewandte Chemie (International Ed. in English)
|
May 26, 2017
Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Activation of Methane
Lei Yue, Jilai Li, Shaodong Zhou, et al.
Page
of 31
Search research articles
Search
Showing results (261-270 of 310) with videos related to
Sort By:
Page
of 31
Journal of Chemical Theory and Computation
|
November 26, 2015
Bonding Conundrums in the C2 Molecule: A Valence Bond Study
Peifeng Su, Jifang Wu, Junjing Gu, et al.
The Journal of Physical Chemistry. B
|
November 21, 2007
QM/MM study of the active species of the human cytochrome P450 3A4, and the influence thereof of the multiple substrate binding
Dan Fishelovitch, Carina Hazan, Hajime Hirao, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
June 21, 2012
Correlating DFT-calculated energy barriers to experiments in nonheme octahedral Fe(IV)O species
Kyung-Bin Cho, Eun Jeong Kim, Mi Sook Seo, et al.
Journal of the American Chemical Society
|
June 17, 2016
How do Enzymes Utilize Reactive OH Radicals? Lessons from Nonheme HppE and Fenton Systems
Binju Wang, Jiarui Lu, Kshatresh Dutta Dubey, et al.
Biochemistry
|
June 1, 2005
Sulfoxidation mechanisms catalyzed by cytochrome P450 and horseradish peroxidase models: spin selection induced by the ligand
Devesh Kumar, Sam P de Visser, Pankaz K Sharma, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 14, 2009
An excursion from normal to inverted C-C bonds shows a clear demarcation between covalent and charge-shift C-C bonds
Sason Shaik, Zhenhua Chen, Wei Wu, et al.
Angewandte Chemie (International Ed. in English)
|
May 14, 2019
Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments
Donald G Truhlar, Philippe C Hiberty, Sason Shaik, et al.
Angewandte Chemie (International Ed. in English)
|
July 22, 2020
Corrigendum: Orbitals and the Interpretation of Photoelectron Spectroscopy and (e,2e) Ionization Experiments
Donald G Truhlar, Philippe C Hiberty, Sason Shaik, et al.
Journal of the American Chemical Society
|
October 25, 2022
How Do Preorganized Electric Fields Function in Catalytic Cycles? The Case of the Enzyme Tyrosine Hydroxylase
Wei Peng, Shengheng Yan, Xuan Zhang, et al.
Angewandte Chemie (International Ed. in English)
|
May 26, 2017
Control of Product Distribution and Mechanism by Ligation and Electric Field in the Thermal Activation of Methane
Lei Yue, Jilai Li, Shaodong Zhou, et al.
Page
of 31