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Inorganic Chemistry
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May 9, 2025
How Geometric Constraints Control the Hydride Position and Activity in [NiFe]-Hydrogenases and Their Biomimetic Complexes
Shuqiang Niu, Michael B Hall
Inorganic Chemistry
|
May 21, 2010
Density functional study of the thermodynamics of hydrogen production by tetrairon hexathiolate, Fe4[MeC(CH2S)3]2(CO)8, a hydrogenase model
Panida Surawatanawong, Michael B Hall
Inorganic Chemistry
|
June 24, 2015
Molybdenum Trihydride Complexes: Computational Determinations of Hydrogen Positions and Rearrangement Mechanisms
Lukasz Szatkowski, Michael B Hall
Journal of the American Chemical Society
|
October 21, 2004
A theoretical investigation of ruthenium-catalyzed alkene hydrosilation: evidence to support an exciting new mechanistic proposal
Chad Beddie, Michael B Hall
The Journal of Physical Chemistry. A
|
January 27, 2006
Do B3LYP and CCSDT predict different hydrosilylation mechanisms? Influences of theoretical methods and basis sets on relative energies in ruthenium-silylene-catalyzed ethylene hydrosilylation
Chad Beddie, Michael B Hall
Dalton Transactions (Cambridge, England : 2003)
|
July 23, 2009
Carbon-hydrogen vs. carbon-halogen oxidative addition of chlorobenzene by a neutral iridium complex explored by DFT
Hong Wu, Michael B Hall
The Journal of Physical Chemistry. A
|
October 3, 2009
Kinetic C-H oxidative addition vs thermodynamic C-X oxidative addition of chlorobenzene by a neutral Rh(I) system. A density functional theory study
Hong Wu, Michael B Hall
The Journal of Physical Chemistry. A
|
January 27, 2009
Density functional theory study of the reaction mechanism for competitive carbon-hydrogen and carbon-halogen bond activations catalyzed by transition metal complexes
Xinzheng Yang, Michael B Hall
Journal of the American Chemical Society
|
January 24, 2008
The catalytic dehydrogenation of ammonia-borane involving an unexpected hydrogen transfer to ligated carbene and subsequent carbon-hydrogen activation
Xinzheng Yang, Michael B Hall
Journal of the American Chemical Society
|
December 5, 2009
Mechanism of water splitting and oxygen-oxygen bond formation by a mononuclear ruthenium complex
Xinzheng Yang, Michael B Hall
Page
of 20
Search research articles
Search
Showing results (11-20 of 191) with videos related to
Sort By:
Page
of 20
Inorganic Chemistry
|
May 9, 2025
How Geometric Constraints Control the Hydride Position and Activity in [NiFe]-Hydrogenases and Their Biomimetic Complexes
Shuqiang Niu, Michael B Hall
Inorganic Chemistry
|
May 21, 2010
Density functional study of the thermodynamics of hydrogen production by tetrairon hexathiolate, Fe4[MeC(CH2S)3]2(CO)8, a hydrogenase model
Panida Surawatanawong, Michael B Hall
Inorganic Chemistry
|
June 24, 2015
Molybdenum Trihydride Complexes: Computational Determinations of Hydrogen Positions and Rearrangement Mechanisms
Lukasz Szatkowski, Michael B Hall
Journal of the American Chemical Society
|
October 21, 2004
A theoretical investigation of ruthenium-catalyzed alkene hydrosilation: evidence to support an exciting new mechanistic proposal
Chad Beddie, Michael B Hall
The Journal of Physical Chemistry. A
|
January 27, 2006
Do B3LYP and CCSDT predict different hydrosilylation mechanisms? Influences of theoretical methods and basis sets on relative energies in ruthenium-silylene-catalyzed ethylene hydrosilylation
Chad Beddie, Michael B Hall
Dalton Transactions (Cambridge, England : 2003)
|
July 23, 2009
Carbon-hydrogen vs. carbon-halogen oxidative addition of chlorobenzene by a neutral iridium complex explored by DFT
Hong Wu, Michael B Hall
The Journal of Physical Chemistry. A
|
October 3, 2009
Kinetic C-H oxidative addition vs thermodynamic C-X oxidative addition of chlorobenzene by a neutral Rh(I) system. A density functional theory study
Hong Wu, Michael B Hall
The Journal of Physical Chemistry. A
|
January 27, 2009
Density functional theory study of the reaction mechanism for competitive carbon-hydrogen and carbon-halogen bond activations catalyzed by transition metal complexes
Xinzheng Yang, Michael B Hall
Journal of the American Chemical Society
|
January 24, 2008
The catalytic dehydrogenation of ammonia-borane involving an unexpected hydrogen transfer to ligated carbene and subsequent carbon-hydrogen activation
Xinzheng Yang, Michael B Hall
Journal of the American Chemical Society
|
December 5, 2009
Mechanism of water splitting and oxygen-oxygen bond formation by a mononuclear ruthenium complex
Xinzheng Yang, Michael B Hall
Page
of 20