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Journal of Chemical Theory and Computation
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August 28, 2018
Bond Type Restricted Property Weighted Radial Distribution Functions for Accurate Machine Learning Prediction of Atomization Energies
Mykhaylo Krykunov, Tom K Woo
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 11, 2005
Dynamic evolution of Kohn-Sham electron density in the real-time domain with finite basis expansion
Anguang Hu, Tom K Woo
The Journal of Chemical Physics
|
January 19, 2007
Generation of initial trajectories for transition path sampling of chemical reactions with ab initio molecular dynamics
Christopher N Rowley, Tom K Woo
Inorganic Chemistry
|
October 11, 2005
Formation of zinc phosphate polymers and networks through the insertion of metathiophosphates into zinc dialkyldithiophosphates
Nicholas J Mosey, Tom K Woo
Inorganic Chemistry
|
August 29, 2006
An ab initio molecular dynamics and density functional theory study of the formation of phosphate chains from metathiophosphates
Nicholas J Mosey, Tom K Woo
The Journal of Chemical Physics
|
December 23, 2009
New shooting algorithms for transition path sampling: centering moves and varied-perturbation sizes for improved sampling
Christopher N Rowley, Tom K Woo
Journal of the American Chemical Society
|
May 17, 2008
A path sampling study of Ru-hydride-catalyzed H2 hydrogenation of ethylene
Christopher N Rowley, Tom K Woo
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 4, 2008
Determination of NMR lineshape anisotropy of guest molecules within inclusion complexes from molecular dynamics simulations
Saman Alavi, Peter Dornan, Tom K Woo
The Journal of Physical Chemistry. B
|
May 21, 2009
Molecular dynamics simulations of equilibrium and transport properties of amino acid-based room temperature ionic liquids
Andrew Sirjoosingh, Saman Alavi, Tom K Woo
Journal of Chemical Theory and Computation
|
December 4, 2015
Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional
Carlos Campañá, Bastien Mussard, Tom K Woo
Page
of 7
Search research articles
Search
Showing results (1-10 of 66) with videos related to
Sort By:
Page
of 7
Journal of Chemical Theory and Computation
|
August 28, 2018
Bond Type Restricted Property Weighted Radial Distribution Functions for Accurate Machine Learning Prediction of Atomization Energies
Mykhaylo Krykunov, Tom K Woo
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 11, 2005
Dynamic evolution of Kohn-Sham electron density in the real-time domain with finite basis expansion
Anguang Hu, Tom K Woo
The Journal of Chemical Physics
|
January 19, 2007
Generation of initial trajectories for transition path sampling of chemical reactions with ab initio molecular dynamics
Christopher N Rowley, Tom K Woo
Inorganic Chemistry
|
October 11, 2005
Formation of zinc phosphate polymers and networks through the insertion of metathiophosphates into zinc dialkyldithiophosphates
Nicholas J Mosey, Tom K Woo
Inorganic Chemistry
|
August 29, 2006
An ab initio molecular dynamics and density functional theory study of the formation of phosphate chains from metathiophosphates
Nicholas J Mosey, Tom K Woo
The Journal of Chemical Physics
|
December 23, 2009
New shooting algorithms for transition path sampling: centering moves and varied-perturbation sizes for improved sampling
Christopher N Rowley, Tom K Woo
Journal of the American Chemical Society
|
May 17, 2008
A path sampling study of Ru-hydride-catalyzed H2 hydrogenation of ethylene
Christopher N Rowley, Tom K Woo
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
April 4, 2008
Determination of NMR lineshape anisotropy of guest molecules within inclusion complexes from molecular dynamics simulations
Saman Alavi, Peter Dornan, Tom K Woo
The Journal of Physical Chemistry. B
|
May 21, 2009
Molecular dynamics simulations of equilibrium and transport properties of amino acid-based room temperature ionic liquids
Andrew Sirjoosingh, Saman Alavi, Tom K Woo
Journal of Chemical Theory and Computation
|
December 4, 2015
Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional
Carlos Campañá, Bastien Mussard, Tom K Woo
Page
of 7