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Journal of Chemical Theory and Computation
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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.
Nature Communications
|
March 18, 2022
Chemistry-mediated Ostwald ripening in carbon-rich C/O systems at extreme conditions
Rebecca K Lindsey, Nir Goldman, Laurence E Fried, et al.
The Journal of Chemical Physics
|
August 11, 2020
Many-body reactive force field development for carbon condensation in C/O systems under extreme conditions
Rebecca K Lindsey, Nir Goldman, Laurence E Fried, et al.
The Journal of Physical Chemistry Letters
|
March 28, 2022
High-Accuracy Semiempirical Quantum Models Based on a Minimal Training Set
Cong Huy Pham, Rebecca K Lindsey, Laurence E Fried, et al.
Journal of the American Chemical Society
|
March 28, 2009
Nitrogen-rich heterocycles as reactivity retardants in shocked insensitive explosives
M Riad Manaa, Evan J Reed, Laurence E Fried, et al.
The Journal of Chemical Physics
|
December 15, 2020
Calculation of the detonation state of HN<sub>3</sub> with quantum accuracy
Cong Huy Pham, Rebecca K Lindsey, Laurence E Fried, et al.
Journal of Chemical Theory and Computation
|
May 1, 2025
An Accurate, Affordable Density Functional Tight-Binding Model for Excited State Hydrocarbon Polymer Molecular Dynamics
Gautam D Stroscio, Cong Huy Pham, Thomas A Niehaus, et al.
The Journal of Physical Chemistry. A
|
June 25, 2014
A density functional tight binding model with an extended basis set and three-body repulsion for hydrogen under extreme thermodynamic conditions
Sriram Goverapet Srinivasan, Nir Goldman, Isaac Tamblyn, et al.
Physical Review Letters
|
August 11, 2005
Bonding in the superionic phase of water
Nir Goldman, Laurence E Fried, I-Feng W Kuo, 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.
Page
of 7
Search research articles
Search
Showing results (31-40 of 62) with videos related to
Sort By:
Page
of 7
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.
Nature Communications
|
March 18, 2022
Chemistry-mediated Ostwald ripening in carbon-rich C/O systems at extreme conditions
Rebecca K Lindsey, Nir Goldman, Laurence E Fried, et al.
The Journal of Chemical Physics
|
August 11, 2020
Many-body reactive force field development for carbon condensation in C/O systems under extreme conditions
Rebecca K Lindsey, Nir Goldman, Laurence E Fried, et al.
The Journal of Physical Chemistry Letters
|
March 28, 2022
High-Accuracy Semiempirical Quantum Models Based on a Minimal Training Set
Cong Huy Pham, Rebecca K Lindsey, Laurence E Fried, et al.
Journal of the American Chemical Society
|
March 28, 2009
Nitrogen-rich heterocycles as reactivity retardants in shocked insensitive explosives
M Riad Manaa, Evan J Reed, Laurence E Fried, et al.
The Journal of Chemical Physics
|
December 15, 2020
Calculation of the detonation state of HN<sub>3</sub> with quantum accuracy
Cong Huy Pham, Rebecca K Lindsey, Laurence E Fried, et al.
Journal of Chemical Theory and Computation
|
May 1, 2025
An Accurate, Affordable Density Functional Tight-Binding Model for Excited State Hydrocarbon Polymer Molecular Dynamics
Gautam D Stroscio, Cong Huy Pham, Thomas A Niehaus, et al.
The Journal of Physical Chemistry. A
|
June 25, 2014
A density functional tight binding model with an extended basis set and three-body repulsion for hydrogen under extreme thermodynamic conditions
Sriram Goverapet Srinivasan, Nir Goldman, Isaac Tamblyn, et al.
Physical Review Letters
|
August 11, 2005
Bonding in the superionic phase of water
Nir Goldman, Laurence E Fried, I-Feng W Kuo, 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.
Page
of 7