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Journal of Chemical Theory and Computation
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December 4, 2020
A Quantum-Based Approach to Predict Primary Radiation Damage in Polymeric Networks
Matthew P Kroonblawd, Nir Goldman, Amitesh Maiti, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 25, 2022
Polymer degradation through chemical change: a quantum-based test of inferred reactions in irradiated polydimethylsiloxane
Matthew P Kroonblawd, Nir Goldman, Amitesh Maiti, et al.
The Journal of Physical Chemistry Letters
|
March 11, 2021
A Hotspot's Better Half: Non-Equilibrium Intra-Molecular Strain in Shock Physics
Brenden W Hamilton, Matthew P Kroonblawd, Chunyu Li, et al.
Journal of Chemical Theory and Computation
|
March 16, 2018
Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model
Matthew P Kroonblawd, Fabio Pietrucci, Antonino Marco Saitta, et al.
Scientific Reports
|
November 17, 2018
Role of filler and its heterostructure on moisture sorption mechanisms in polyimide films
Hom N Sharma, Matthew P Kroonblawd, Yunwei Sun, et al.
Chemical Science
|
June 14, 2021
Mechanochemical synthesis of glycine oligomers in a virtual rotational diamond anvil cell
Brad A Steele, Nir Goldman, I-Feng W Kuo, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 21, 2023
United atom and coarse grained models for crosslinked polydimethylsiloxane with applications to the rheology of silicone fluids
Aditi Khot, Rebecca K Lindsey, James P Lewicki, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
April 29, 2026
Anisotropic Hot Spot Formation at a Grain Boundary in Shock-Compressed TATB High Explosive Crystal
Matthew P Kroonblawd, Nithin Mathew, Puhan Zhao, et al.
The Journal of Physical Chemistry. B
|
March 15, 2024
Maximum Entropy Theory of Multiscale Coarse-Graining via Matching Thermodynamic Forces: Application to a Molecular Crystal (TATB)
Sergei Izvekov, Matthew P Kroonblawd, James P Larentzos, et al.
The Journal of Physical Chemistry. A
|
December 3, 2020
High-Pressure Equation of State of 1,3,5-triamino-2,4,6-trinitrobenzene: Insights into the Monoclinic Phase Transition, Hydrogen Bonding, and Anharmonicity
Brad A Steele, Elissaios Stavrou, Vitali B Prakapenka, et al.
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Search research articles
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Showing results (11-20 of 26) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
December 4, 2020
A Quantum-Based Approach to Predict Primary Radiation Damage in Polymeric Networks
Matthew P Kroonblawd, Nir Goldman, Amitesh Maiti, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 25, 2022
Polymer degradation through chemical change: a quantum-based test of inferred reactions in irradiated polydimethylsiloxane
Matthew P Kroonblawd, Nir Goldman, Amitesh Maiti, et al.
The Journal of Physical Chemistry Letters
|
March 11, 2021
A Hotspot's Better Half: Non-Equilibrium Intra-Molecular Strain in Shock Physics
Brenden W Hamilton, Matthew P Kroonblawd, Chunyu Li, et al.
Journal of Chemical Theory and Computation
|
March 16, 2018
Generating Converged Accurate Free Energy Surfaces for Chemical Reactions with a Force-Matched Semiempirical Model
Matthew P Kroonblawd, Fabio Pietrucci, Antonino Marco Saitta, et al.
Scientific Reports
|
November 17, 2018
Role of filler and its heterostructure on moisture sorption mechanisms in polyimide films
Hom N Sharma, Matthew P Kroonblawd, Yunwei Sun, et al.
Chemical Science
|
June 14, 2021
Mechanochemical synthesis of glycine oligomers in a virtual rotational diamond anvil cell
Brad A Steele, Nir Goldman, I-Feng W Kuo, et al.
Physical Chemistry Chemical Physics : PCCP
|
March 21, 2023
United atom and coarse grained models for crosslinked polydimethylsiloxane with applications to the rheology of silicone fluids
Aditi Khot, Rebecca K Lindsey, James P Lewicki, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces
|
April 29, 2026
Anisotropic Hot Spot Formation at a Grain Boundary in Shock-Compressed TATB High Explosive Crystal
Matthew P Kroonblawd, Nithin Mathew, Puhan Zhao, et al.
The Journal of Physical Chemistry. B
|
March 15, 2024
Maximum Entropy Theory of Multiscale Coarse-Graining via Matching Thermodynamic Forces: Application to a Molecular Crystal (TATB)
Sergei Izvekov, Matthew P Kroonblawd, James P Larentzos, et al.
The Journal of Physical Chemistry. A
|
December 3, 2020
High-Pressure Equation of State of 1,3,5-triamino-2,4,6-trinitrobenzene: Insights into the Monoclinic Phase Transition, Hydrogen Bonding, and Anharmonicity
Brad A Steele, Elissaios Stavrou, Vitali B Prakapenka, et al.
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