C Franklin Goldsmith

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 25

Top Topics

Simultaneous Determination

High Temperature

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Inorganic chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Katrín Blöndal, Kirk Badger, Khachik Sargsyan, David H Bross, Branko Ruscic, C Franklin Goldsmith
Importance sampling within configuration space integration for adsorbate thermophysical properties: a case study for CH 3 /Ni(111). Physical chemistry chemical physics : PCCP 26 (24) (2024)
Kento Abeywardane, C Franklin Goldsmith
Accurate Enthalpies of Formation for PFAS from First-Principles: Combining Different Levels of Theory in a Generalized Thermochemical Hierarchy. ACS physical chemistry Au 4 (3) (2024)
Shivaiah Vaddypally, Alex N Byrne, C Franklin Goldsmith, Michael J Zdilla, Vitaly G Kiselev
Metal-Free Reversible Double Cyclization of Cyanuric Diazide to an Asymmetric Bitetrazolate via Cleavage of the Six-Membered Aromatic Ring. Inorganic chemistry 63 (5) (2024)
Kento Abeywardane, C Franklin Goldsmith
Accurate Enthalpies of Formation for PFAS from First-Principles: Combining Different Levels of Theory in a Generalized Thermochemical Hierarchy. ACS physical chemistry Au 4 (3) (2024)
Shivaiah Vaddypally, Alex N Byrne, C Franklin Goldsmith, Michael J Zdilla, Vitaly G Kiselev
Metal-Free Reversible Double Cyclization of Cyanuric Diazide to an Asymmetric Bitetrazolate via Cleavage of the Six-Membered Aromatic Ring. Inorganic chemistry (2024)
Katrín Blöndal, Kirk Badger, Khachik Sargsyan, David H Bross, Branko Ruscic, C Franklin Goldsmith
Importance sampling within configuration space integration for adsorbate thermophysical properties: a case study for CH 3 /Ni(111). Physical chemistry chemical physics : PCCP (2024)
Mostafa Abedi, Jörg Behler, C Franklin Goldsmith
High-Dimensional Neural Network Potentials for Accurate Prediction of Equation of State: A Case Study of Methane. Journal of chemical theory and computation (2023)
Siddha Sharma, Kento Abeywardane, C Franklin Goldsmith
Theory-Based Mechanism for Fluoromethane Combustion I: Thermochemistry and Abstraction Reactions. The journal of physical chemistry. A 127 (6) (2023)
Bjarne Kreitz, Kento Abeywardane, C Franklin Goldsmith
Linking Experimental and Ab Initio Thermochemistry of Adsorbates with a Generalized Thermochemical Hierarchy. Journal of chemical theory and computation (2023)
Sina Stocker, Hyunwook Jung, Gábor Csányi, C Franklin Goldsmith, Karsten Reuter, Johannes T Margraf
Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration. Journal of chemical theory and computation (2023)
Siddha Sharma, Kento Abeywardane, C Franklin Goldsmith
Theory-Based Mechanism for Fluoromethane Combustion I: Thermochemistry and Abstraction Reactions. The journal of physical chemistry. A (2023)
Matthew S Johnson, Xiaorui Dong, Alon Grinberg Dana, Yunsie Chung, David Farina, Ryan J Gillis, Mengjie Liu, Nathan W Yee, Katrin Blondal, Emily J Mazeau, Colin A Grambow, A Mark Payne, Kevin A Spiekermann, Hao-Wei Pang, C Franklin Goldsmith, Richard H West, William H Green
RMG Database for Chemical Property Prediction. Journal of chemical information and modeling 62 (20) (2022)
Mengjie Liu, Alon Grinberg Dana, Matthew S Johnson, Mark Jacob Goldman, Agnes Jocher, A Mark Payne, Colin A Grambow, Kehang Han, Nathan W Yee, Emily J Mazeau, Katrin Blondal, Richard H West, C Franklin Goldsmith, William H Green
Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. Journal of chemical information and modeling 61 (6) (2021)
Bjarne Kreitz, Khachik Sargsyan, Katrin Blondal, Emily J Mazeau, Richard H West, Gregor D Wehinger, Thomas Turek, C Franklin Goldsmith
Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO2 Hydrogenation on Ni(111). JACS Au 1 (10) (2021)
Aaron D Danilack, Clayton R Mulvihill, Stephen J Klippenstein, C Franklin Goldsmith
Diastereomers and Low-Temperature Oxidation. The journal of physical chemistry. A 125 (36) (2021)
Xi Chen, C Franklin Goldsmith
Accelerating Variational Transition State Theory via Artificial Neural Networks. The journal of physical chemistry. A 124 (5) (2020)
Shivaiah Vaddypally, Vitaly G Kiselev, Alex N Byrne, C Franklin Goldsmith, Michael J Zdilla
Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring. Chemical science 12 (6) (2020)
Margarita V Gorn, Nina P Gritsan, C Franklin Goldsmith, Vitaly G Kiselev
Thermal Stability of Bis-Tetrazole and Bis-Triazole Derivatives with Long Catenated Nitrogen Chains: Quantitative Insights from High-Level Quantum Chemical Calculations. The journal of physical chemistry. A 124 (38) (2020)
Vitaly G Kiselev, C Franklin Goldsmith
Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods. The journal of physical chemistry. A 123 (45) (2019)
Vitaly G Kiselev, C Franklin Goldsmith
Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory. The journal of physical chemistry. A 123 (23) (2019)
Mark E Fuller, C Franklin Goldsmith
Shock Tube Laser Schlieren Study of the Pyrolysis of Isopropyl Nitrate. The journal of physical chemistry. A 123 (28) (2019)
Joshua E Middaugh, Zachary J Buras, Mickael Matrat, Te-Chun Chu, Young-Seok Kim, Ionut M Alecu, AnGayle K Vasiliou, C Franklin Goldsmith, William H Green
A combined photoionization time-of-flight mass spectrometry and laser absorption spectrometry flash photolysis apparatus for simultaneous determination of reaction rates and product branching. The Review of scientific instruments 89 (7) (2018)
Chong-Wen Zhou, John M Simmie, Kieran P Somers, C Franklin Goldsmith, Henry J Curran
Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by 3O2; Implications for Combustion Modeling and Simulation. The journal of physical chemistry. A 121 (9) (2017)
James P A Lockhart, C Franklin Goldsmith, John B Randazzo, Branko Ruscic, Robert S Tranter
An Experimental and Theoretical Study of the Thermal Decomposition of C4H6 Isomers. The journal of physical chemistry. A 121 (20) (2017)
Xi Chen, C Franklin Goldsmith
A Theoretical and Computational Analysis of the Methyl-Vinyl + O2 Reaction and Its Effects on Propene Combustion. The journal of physical chemistry. A 121 (48) (2017)