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Inorganic Chemistry
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August 10, 2011
On the formation of "hypercoordinated" uranyl complexes
George Schoendorff, Wibe A de Jong, Michael J Van Stipdonk, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 29, 2005
Time-resolved gas-phase kinetic and quantum chemical studies of the reaction of silylene with oxygen
Rosa Becerra, Sarah-Jane Bowes, J Steven Ogden, et al.
The Journal of Physical Chemistry. A
|
October 13, 2009
Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistry
Yifat Miller, Jennie L Thomas, Daniel D Kemp, et al.
Inorganic Chemistry
|
November 14, 2012
Roles of acetone and diacetone alcohol in coordination and dissociation reactions of uranyl complexes
Daniel Rios, George Schoendorff, Michael J Van Stipdonk, et al.
Journal of the American Chemical Society
|
January 20, 2005
Where does the planar-to-nonplanar turnover occur in small gold clusters?
Ryan M Olson, Sergey Varganov, Mark S Gordon, et al.
Journal of Chemical Theory and Computation
|
April 9, 2025
Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm
Megan Schlinsog, Tosaporn Sattasathuchana, Peng Xu, et al.
Journal of Chemical Theory and Computation
|
February 26, 2016
Importance of Three-Body Interactions in Molecular Dynamics Simulations of Water Demonstrated with the Fragment Molecular Orbital Method
Spencer R Pruitt, Hiroya Nakata, Takeshi Nagata, et al.
Inorganic Chemistry
|
February 18, 2016
Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants
Billy W McCann, Nuwan De Silva, Theresa L Windus, et al.
The Journal of Chemical Physics
|
April 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method
Buu Q Pham, Laura Carrington, Ananta Tiwari, et al.
The Journal of Physical Chemistry. B
|
August 14, 2013
Ab initio study of molecular interactions in cellulose Iα
Ajitha Devarajan, Sergiy Markutsya, Monica H Lamm, et al.
Page
of 26
Search research articles
Search
Showing results (241-250 of 258) with videos related to
Sort By:
Page
of 26
Inorganic Chemistry
|
August 10, 2011
On the formation of "hypercoordinated" uranyl complexes
George Schoendorff, Wibe A de Jong, Michael J Van Stipdonk, et al.
Physical Chemistry Chemical Physics : PCCP
|
September 29, 2005
Time-resolved gas-phase kinetic and quantum chemical studies of the reaction of silylene with oxygen
Rosa Becerra, Sarah-Jane Bowes, J Steven Ogden, et al.
The Journal of Physical Chemistry. A
|
October 13, 2009
Structure of large nitrate-water clusters at ambient temperatures: simulations with effective fragment potentials and force fields with implications for atmospheric chemistry
Yifat Miller, Jennie L Thomas, Daniel D Kemp, et al.
Inorganic Chemistry
|
November 14, 2012
Roles of acetone and diacetone alcohol in coordination and dissociation reactions of uranyl complexes
Daniel Rios, George Schoendorff, Michael J Van Stipdonk, et al.
Journal of the American Chemical Society
|
January 20, 2005
Where does the planar-to-nonplanar turnover occur in small gold clusters?
Ryan M Olson, Sergey Varganov, Mark S Gordon, et al.
Journal of Chemical Theory and Computation
|
April 9, 2025
Computation of Protein-Ligand Binding Free Energies with a Quantum Mechanics-Based Mining Minima Algorithm
Megan Schlinsog, Tosaporn Sattasathuchana, Peng Xu, et al.
Journal of Chemical Theory and Computation
|
February 26, 2016
Importance of Three-Body Interactions in Molecular Dynamics Simulations of Water Demonstrated with the Fragment Molecular Orbital Method
Spencer R Pruitt, Hiroya Nakata, Takeshi Nagata, et al.
Inorganic Chemistry
|
February 18, 2016
Computer-Aided Molecular Design of Bis-phosphine Oxide Lanthanide Extractants
Billy W McCann, Nuwan De Silva, Theresa L Windus, et al.
The Journal of Chemical Physics
|
April 28, 2023
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller-Plesset perturbation method
Buu Q Pham, Laura Carrington, Ananta Tiwari, et al.
The Journal of Physical Chemistry. B
|
August 14, 2013
Ab initio study of molecular interactions in cellulose Iα
Ajitha Devarajan, Sergiy Markutsya, Monica H Lamm, et al.
Page
of 26