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C. Goldsmith · SciRah

Researcher profile · Semantic Scholar

C. Goldsmith

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C. Goldsmith — researcher profile on SciRah

h-index: 26
Works: 88
Citations: 2,893

Most-cited papers

Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation
Mengjie Liu, A. G. Dana, M. Johnson, M. Goldman +10 more
2020Journal of Chemical Information and Modeling261 citations Open access
Semantic Scholar
Database of small molecule thermochemistry for combustion.
C. Goldsmith, G. Magoon, William H. Green
2012Journal of Physical Chemistry A203 citations
Semantic Scholar
Combustion chemistry in the twenty-first century: Developing theory-informed chemical kinetics models
James A. Miller, R. Sivaramakrishnan, Yujie Tao, C. Goldsmith +6 more
2021146 citations Open access
Semantic Scholar
Understanding low-temperature first-stage ignition delay: Propane
S. Merchant, C. Goldsmith, A. Vandeputte, M. P. Burke +2 more
2015146 citations Open access
Semantic Scholar
RMG Database for Chemical Property Prediction
Matthew S. Johnson, Xiao-yang Dong, Alon Grinberg Dana, Yu-An Chung +13 more
2022Journal of Chemical Information and Modeling137 citations Open access
Semantic Scholar
Weakly Bound Free Radicals in Combustion: "Prompt" Dissociation of Formyl Radicals and Its Effect on Laminar Flame Speeds.
N. Labbe, R. Sivaramakrishnan, C. Goldsmith, Y. Georgievskii +2 more
2016Journal of Physical Chemistry Letters97 citations
Semantic Scholar
Automatic estimation of pressure-dependent rate coefficients.
Joshua W. Allen, C. Goldsmith, W. Green
2012Physical Chemistry, Chemical Physics - PCCP97 citations Open access
Semantic Scholar
Automatic Generation of Microkinetic Mechanisms for Heterogeneous Catalysis
C. Goldsmith, R. West
201791 citations
Semantic Scholar
Rate coefficients for fuel + NO2: Predictive kinetics for HONO and HNO2 formation
J. Chai, C. Goldsmith
201791 citations Open access
Semantic Scholar
Catalytic partial oxidation of methane on platinum investigated by spatial reactor profiles, spatially resolved spectroscopy, and microkinetic modeling
O. Korup, C. Goldsmith, G. Weinberg, M. Geske +3 more
201390 citations Open access
Semantic Scholar
Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition
C. Goldsmith, S. Klippenstein, W. Green
201185 citations
Semantic Scholar
Detailed Kinetic Modeling of Iron Nanoparticle Synthesis from the Decomposition of Fe(CO)5
John Z. Wen, C. Goldsmith, R. Ashcraft, W. Green
200769 citations
Semantic Scholar
Uncertainty propagation in the derivation of phenomenological rate coefficients from theory: A case study of n-propyl radical oxidation
C. Goldsmith, A. Tomlin, S. Klippenstein
201366 citations
Semantic Scholar
Effect of non-thermal product energy distributions on ketohydroperoxide decomposition kinetics
C. Goldsmith, M. P. Burke, Y. Georgievskii, S. Klippenstein
201564 citations Open access
Semantic Scholar
Measurement and analysis of spatial reactor profiles in high temperature catalysis research
O. Korup, S. Mavlyankariev, M. Geske, C. Goldsmith +1 more
201161 citations Open access
Semantic Scholar
Towards a quantitative understanding of the role of non-Boltzmann reactant distributions in low temperature oxidation
M. P. Burke, C. Goldsmith, Y. Georgievskii, S. Klippenstein
201558 citations
Semantic Scholar
A detailed kinetic model for combustion synthesis of titania from TiCl4
R. West, Raphael Shirley, M. Kraft, C. Goldsmith +1 more
200956 citations
Semantic Scholar
Decomposition kinetics for HONO and HNO2
Xi Chen, M. Fuller, C. Goldsmith
2019Reaction Chemistry & Engineering54 citations
Semantic Scholar
Development of comprehensive kinetic models of ammonia/methanol ignition using Reaction Mechanism Generator (RMG)
S. Nadiri, B. Shu, C. Goldsmith, R. Fernandes
2023Combustion and Flame50 citations
Semantic Scholar
Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by 3O2; Implications for Combustion Modeling and Simulation.
Chong-Wen Zhou, J. Simmie, K. P. Somers, C. Goldsmith +1 more
2017Journal of Physical Chemistry A48 citations Open access
Semantic Scholar
Ramifications of including non-equilibrium effects for HCO in flame chemistry
N. Labbe, R. Sivaramakrishnan, C. Goldsmith, Y. Georgievskii +2 more
201747 citations Open access
Semantic Scholar
Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration
Sina Stocker, Hyunwook Jung, Gábor Csányi, C. Goldsmith +2 more
2023Journal of Chemical Theory and Computation43 citations Open access
Semantic Scholar
Predictive kinetics for the thermal decomposition of RDX
Xi Chen, C. Goldsmith
2019Proceedings of the Combustion Institute43 citations Open access
Semantic Scholar
Propargyl + O2 reaction in helium droplets: entrance channel barrier or not?
Christopher P. Moradi, A. M. Morrison, S. Klippenstein, C. Goldsmith +1 more
2013Journal of Physical Chemistry A42 citations Open access
Semantic Scholar
Decomposition and vibrational relaxation in CH3I and self-reaction of CH3 radicals.
Xue-Liang Yang, C. Goldsmith, R. Tranter
2009Journal of Physical Chemistry A35 citations
Semantic Scholar
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. Goldsmith
2019Journal of Physical Chemistry A28 citations Open access
Semantic Scholar
Theory-Based Mechanism for Fluoromethane Combustion I: Thermochemistry and Abstraction Reactions.
Siddha Sharma, Kento Abeywardane, C. Goldsmith
2023Journal of Physical Chemistry A25 citations
Semantic Scholar
Detailed Microkinetics for the Oxidation of Exhaust Gas Emissions through Automated Mechanism Generation
Bjarne Kreitz, Patrick Lott, Jongyoon Bae, K. Blöndal +5 more
2022ACS Catalysis25 citations Open access
Semantic Scholar
Thermal Stability of Bis-Tetrazole and Bis-Triazole Derivatives with Long Catenated Nitrogen Chains: Quantitative Insights from High-Level Quantum Chemical Calculations.
M. Gorn, N. Gritsan, C. Goldsmith, Vitaly G. Kiselev
2020Journal of Physical Chemistry A25 citations Open access
Semantic Scholar
On the relative importance of HONO versus HNO2 in low-temperature combustion
M. Fuller, C. Goldsmith
2019Proceedings of the Combustion Institute25 citations Open access
Semantic Scholar
An Experimental and Theoretical Study of the Thermal Decomposition of C4H6 Isomers.
J. Lockhart, C. Goldsmith, J. Randazzo, B. Ruscic +1 more
2017Journal of Physical Chemistry A25 citations Open access
Semantic Scholar
Fuel-rich methane oxidation in a high-pressure flow reactor studied by optical-fiber laser-induced fluorescence, multi-species sampling profile measurements and detailed kinetic simulations
Heiner Schwarz, M. Geske, C. Goldsmith, R. Schlögl +1 more
201425 citations Open access
Semantic Scholar
Microkinetic Modeling of the CO2 Desorption from Supported Multifaceted Ni Catalysts
Bjarne Kreitz, G. Wehinger, C. Goldsmith, T. Turek
202124 citations
Semantic Scholar
Non-Boltzmann Effects in Chain Branching and Pathway Branching for Diethyl Ether Oxidation
C. Mulvihill, Aaron D. Danilack, C. Goldsmith, M. Demireva +4 more
2021Energy & Fuels23 citations Open access
Semantic Scholar
Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods.
Vitaly G. Kiselev, C. Goldsmith
2019Journal of Physical Chemistry A23 citations Open access
Semantic Scholar
Low-temperature oxidation of diethyl ether: Reactions of hot radicals across coupled potential energy surfaces
Aaron D. Danilack, S. Klippenstein, Y. Georgievskii, C. Goldsmith
202022 citations Open access
Semantic Scholar
A Theoretical and Computational Analysis of the Methyl-Vinyl + O2 Reaction and Its Effects on Propene Combustion.
Xi Chen, C. Goldsmith
2017Journal of Physical Chemistry A22 citations Open access
Semantic Scholar
Laser schlieren study of the thermal decomposition of 2-ethylhexyl-nitrate
Christopher A. Almodovar, C. Goldsmith
202021 citations Open access
Semantic Scholar
Accelerating Variational Transition State Theory via Artificial Neural Networks.
Xi Chen, C. Goldsmith
2020Journal of Physical Chemistry A21 citations
Semantic Scholar
Laminar flame speeds and ignition delay times for isopropyl nitrate and propane blends
M. Fuller, Ayan Mousse-Rayaleh, N. Chaumeix, C. Goldsmith
2022Combustion and Flame20 citations Open access
Semantic Scholar
Experimental and Kinetic Modeling Study of C2H2 Oxidation at High Pressure
Jorge Giménez-López, C. T. Rasmussen, H. Hashemi, M. U. Alzueta +4 more
201620 citations
Semantic Scholar
A Shock Tube Laser Schlieren Study of the Pyrolysis of Isopropyl Nitrate.
M. Fuller, C. Goldsmith
2019Journal of Physical Chemistry A19 citations
Semantic Scholar
Accurate Enthalpies of Formation for PFAS from First-Principles: Combining Different Levels of Theory in a Generalized Thermochemical Hierarchy
Kento Abeywardane, C. Goldsmith
2024ACS Physical Chemistry Au17 citations Open access
Semantic Scholar
Shock tube study of the pyrolysis kinetics of Di- and trimethoxy methane
M. Döntgen, M. Fuller, S. Peukert, D. Nativel +3 more
2022Combustion and Flame17 citations
Semantic Scholar
Theoretically Informed Kinetics (ThInK): Establishing a modern C0-C3 mechanism for combustion modeling
S. Klippenstein, R. Sivaramakrishnan, Nicole J. Labbe, Yujie Tao +11 more
2025Combustion and Flame16 citations
Semantic Scholar
Direct measurements of channel specific rate constants in OH + C3H8 illuminates prompt dissociations of propyl radicals
R. Sivaramakrishnan, C. Goldsmith, S. Peukert, J. Michael
2019Proceedings of the Combustion Institute16 citations Open access
Semantic Scholar
Thermal dissociation of alkyl nitrites and recombination of alkyl radicals
J. Randazzo, M. Fuller, C. Goldsmith, R. Tranter
2019Proceedings of the Combustion Institute16 citations Open access
Semantic Scholar
Toward reliable characterization of energetic materials: interplay of theory and thermal analysis in the study of the thermal stability of tetranitroacetimidic acid (TNAA).
V. Kiselev, N. Muravyev, K. Monogarov, P. Gribanov +5 more
2018Physical Chemistry, Chemical Physics - PCCP16 citations
Semantic Scholar
The impact of roaming radicals on the combustion properties of transportation fuels
R. West, C. Goldsmith
2017Combustion and Flame16 citations Open access
Semantic Scholar
Diastereomers and Low-Temperature Oxidation.
Aaron D. Danilack, C. Mulvihill, S. Klippenstein, C. Goldsmith
2021Journal of Physical Chemistry A15 citations Open access
Semantic Scholar

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