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ACS Physical Chemistry Au
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May 27, 2024
Accurate Enthalpies of Formation for PFAS from First-Principles: Combining Different Levels of Theory in a Generalized Thermochemical Hierarchy
Kento Abeywardane, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
January 14, 2020
Accelerating Variational Transition State Theory via Artificial Neural Networks
Xi Chen, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
November 8, 2017
A Theoretical and Computational Analysis of the Methyl-Vinyl + O<sub>2</sub> Reaction and Its Effects on Propene Combustion
Xi Chen, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
June 14, 2019
Shock Tube Laser Schlieren Study of the Pyrolysis of Isopropyl Nitrate
Mark E Fuller, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
October 22, 2019
Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods
Vitaly G Kiselev, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
March 29, 2019
Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory
Vitaly G Kiselev, C Franklin Goldsmith
Journal of Chemical Theory and Computation
|
October 30, 2023
High-Dimensional Neural Network Potentials for Accurate Prediction of Equation of State: A Case Study of Methane
Mostafa Abedi, Jörg Behler, C Franklin Goldsmith
Journal of Chemical Theory and Computation
|
June 24, 2023
Linking Experimental and <i>Ab Initio</i> Thermochemistry of Adsorbates with a Generalized Thermochemical Hierarchy
Bjarne Kreitz, Kento Abeywardane, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
February 6, 2023
Theory-Based Mechanism for Fluoromethane Combustion I: Thermochemistry and Abstraction Reactions
Siddha Sharma, Kento Abeywardane, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
July 3, 2009
Decomposition and vibrational relaxation in CH3I and self-reaction of CH3 radicals
Xueliang Yang, C Franklin Goldsmith, Robert S Tranter
Page
of 5
Search research articles
Search
Showing results (1-10 of 45) with videos related to
Sort By:
Page
of 5
ACS Physical Chemistry Au
|
May 27, 2024
Accurate Enthalpies of Formation for PFAS from First-Principles: Combining Different Levels of Theory in a Generalized Thermochemical Hierarchy
Kento Abeywardane, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
January 14, 2020
Accelerating Variational Transition State Theory via Artificial Neural Networks
Xi Chen, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
November 8, 2017
A Theoretical and Computational Analysis of the Methyl-Vinyl + O<sub>2</sub> Reaction and Its Effects on Propene Combustion
Xi Chen, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
June 14, 2019
Shock Tube Laser Schlieren Study of the Pyrolysis of Isopropyl Nitrate
Mark E Fuller, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
October 22, 2019
Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods
Vitaly G Kiselev, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
March 29, 2019
Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory
Vitaly G Kiselev, C Franklin Goldsmith
Journal of Chemical Theory and Computation
|
October 30, 2023
High-Dimensional Neural Network Potentials for Accurate Prediction of Equation of State: A Case Study of Methane
Mostafa Abedi, Jörg Behler, C Franklin Goldsmith
Journal of Chemical Theory and Computation
|
June 24, 2023
Linking Experimental and <i>Ab Initio</i> Thermochemistry of Adsorbates with a Generalized Thermochemical Hierarchy
Bjarne Kreitz, Kento Abeywardane, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
February 6, 2023
Theory-Based Mechanism for Fluoromethane Combustion I: Thermochemistry and Abstraction Reactions
Siddha Sharma, Kento Abeywardane, C Franklin Goldsmith
The Journal of Physical Chemistry. A
|
July 3, 2009
Decomposition and vibrational relaxation in CH3I and self-reaction of CH3 radicals
Xueliang Yang, C Franklin Goldsmith, Robert S Tranter
Page
of 5