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The Journal of Chemical Physics
|
January 17, 2019
Transferable density functional tight binding for carbon, hydrogen, nitrogen, and oxygen: Application to shock compression
M J Cawkwell, R Perriot
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
April 10, 2024
Properties of Erythritol Tetranitrate from Molecular Dynamics Simulation
M J Cawkwell, V W Manner
The Journal of Physical Chemistry. A
|
December 17, 2019
Ranking the Drop-Weight Impact Sensitivity of Common Explosives Using Arrhenius Chemical Rates Computed from Quantum Molecular Dynamics Simulations
M J Cawkwell, V W Manner
The Journal of Chemical Physics
|
October 9, 2012
Energy conserving, linear scaling Born-Oppenheimer molecular dynamics
M J Cawkwell, Anders M N Niklasson
The Journal of Physical Chemistry. A
|
April 2, 2020
Reaction Rates in Nitromethane under High Pressure from Density Functional Tight Binding Molecular Dynamics Simulations
Romain Perriot, M J Cawkwell, Enrique Martinez, et al.
The Journal of Chemical Physics
|
February 16, 2015
Extended Lagrangian Born-Oppenheimer molecular dynamics simulations of the shock-induced chemistry of phenylacetylene
M J Cawkwell, Anders M N Niklasson, Dana M Dattelbaum
Journal of Chemical Theory and Computation
|
April 28, 2020
Tight-Binding Modeling of Uranium in an Aqueous Environment
Rebecca K Carlson, M J Cawkwell, Enrique R Batista, et al.
The Journal of Physical Chemistry Letters
|
January 8, 2025
Understanding Trigger Linkage Dynamics in Energetic Materials Using Mixed Picramide Nitrate Ester Explosives
Nicholas Lease, M J Cawkwell, Kyle D Spielvogel, et al.
Journal of Chemical Theory and Computation
|
October 18, 2017
Numerical Optimization of Density Functional Tight Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen
A Krishnapriyan, P Yang, A M N Niklasson, et al.
The Journal of Physical Chemistry. A
|
December 21, 2016
Free Energy Based Equation of State for Pentaerythritol Tetranitrate
M J Cawkwell, D S Montgomery, K J Ramos, et al.
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of 3
Search research articles
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Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
January 17, 2019
Transferable density functional tight binding for carbon, hydrogen, nitrogen, and oxygen: Application to shock compression
M J Cawkwell, R Perriot
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
April 10, 2024
Properties of Erythritol Tetranitrate from Molecular Dynamics Simulation
M J Cawkwell, V W Manner
The Journal of Physical Chemistry. A
|
December 17, 2019
Ranking the Drop-Weight Impact Sensitivity of Common Explosives Using Arrhenius Chemical Rates Computed from Quantum Molecular Dynamics Simulations
M J Cawkwell, V W Manner
The Journal of Chemical Physics
|
October 9, 2012
Energy conserving, linear scaling Born-Oppenheimer molecular dynamics
M J Cawkwell, Anders M N Niklasson
The Journal of Physical Chemistry. A
|
April 2, 2020
Reaction Rates in Nitromethane under High Pressure from Density Functional Tight Binding Molecular Dynamics Simulations
Romain Perriot, M J Cawkwell, Enrique Martinez, et al.
The Journal of Chemical Physics
|
February 16, 2015
Extended Lagrangian Born-Oppenheimer molecular dynamics simulations of the shock-induced chemistry of phenylacetylene
M J Cawkwell, Anders M N Niklasson, Dana M Dattelbaum
Journal of Chemical Theory and Computation
|
April 28, 2020
Tight-Binding Modeling of Uranium in an Aqueous Environment
Rebecca K Carlson, M J Cawkwell, Enrique R Batista, et al.
The Journal of Physical Chemistry Letters
|
January 8, 2025
Understanding Trigger Linkage Dynamics in Energetic Materials Using Mixed Picramide Nitrate Ester Explosives
Nicholas Lease, M J Cawkwell, Kyle D Spielvogel, et al.
Journal of Chemical Theory and Computation
|
October 18, 2017
Numerical Optimization of Density Functional Tight Binding Models: Application to Molecules Containing Carbon, Hydrogen, Nitrogen, and Oxygen
A Krishnapriyan, P Yang, A M N Niklasson, et al.
The Journal of Physical Chemistry. A
|
December 21, 2016
Free Energy Based Equation of State for Pentaerythritol Tetranitrate
M J Cawkwell, D S Montgomery, K J Ramos, et al.
Page
of 3