Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties von Kreitz, Bjarne, Lott, Patrick, Studt, Felix, Medford, Andrew J., Deutschmann, Olaf, Goldsmith, C. Franklin

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Importance sampling within configuration space integration for adsorbate thermophysical properties: a case study for CH3/Ni(111) von Blöndal, Katrín, Badger, Kirk, Sargsyan, Khachik, Bross, David H, Ruscic, Branko, C Franklin Goldsmith

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Non-Idealities in Lab-Scale Kinetic Testing: A Theoretical Study of a Modular Temkin Reactor von Wehinger, Gregor D., Kreitz, Bjarne, Goldsmith, C. Franklin

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Automatic Generation of Microkinetic Mechanisms for Heterogeneous Catalysis von Goldsmith, C. Franklin, West, Richard H

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Accurate Enthalpies of Formation for PFAS from First-Principles: Combining Different Levels of Theory in a Generalized Thermochemical Hierarchy von Abeywardane, Kento, Goldsmith, C. Franklin

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Toward reliable characterization of energetic materials: interplay of theory and thermal analysis in the study of the thermal stability of tetranitroacetimidic acid (TNAA) von Kiselev, Vitaly G, Muravyev, Nikita V, Monogarov, Konstantin A, Gribanov, Pavel S, Asachenko, Andrey F, Fomenkov, Igor V, Goldsmith, C Franklin, Pivkina, Alla N, Gritsan, Nina P

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A continuous flow liquid propellant strand burner for high pressure monopropellant and bipropellant combustion studies von Fuller, Casey C., Sinrud, Joshua B., Schwind, Rachel A., Klassen, Michael S., Goldsmith, C. Franklin, Walker, Robert A.

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Transition-metal-mediated reduction and reversible double-cyclization of cyanuric triazide to an asymmetric bitetrazolate involving cleavage of the six-membered aromatic ring von Vaddypally, Shivaiah, Kiselev, Vitaly G, Byrne, Alex N, Goldsmith, C. Franklin, Zdilla, Michael J

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Microkinetic Modeling of the Transient CO2 Methanation with DFT‐Based Uncertainties in a Berty Reactor von Kreitz, Bjarne, Wehinger, Gregor D., Goldsmith, C. Franklin, Turek, Thomas

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Linking Experimental and Ab Initio Thermochemistry of Adsorbates with a Generalized Thermochemical Hierarchy von Kreitz, Bjarne, Abeywardane, Kento, Goldsmith, C. Franklin

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Decomposition kinetics for HONO and HNO2 von Chen, Xi, Fuller, Mark E, C Franklin Goldsmith

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A shock tube laser schlieren study of methyl acetate dissociation in the fall-off regime von Annesley, Christopher J, Franklin Goldsmith, C, Tranter, Robert S

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Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods von Kiselev, Vitaly G, Goldsmith, C. Franklin

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Non-oxidative methane conversion by Fe single site catalysts: quantifying temperature limitations imposed by gas-phase pyrolysis von Bae, Jongyoon, Hashemi, Javad, Yun, Dongmin, Kim, Do Kyoung, Choo, Dae Hyun, Goldsmith, C. Franklin, Peterson, Andrew A

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Database of Small Molecule Thermochemistry for Combustion von Goldsmith, C. Franklin, Magoon, Gregory R, Green, William H

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Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration von Stocker, Sina, Jung, Hyunwook, Csányi, Gábor, Goldsmith, C. Franklin, Reuter, Karsten, Margraf, Johannes T.

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RMG Database for Chemical Property Prediction von Johnson, Matthew S., Dong, Xiaorui, Grinberg Dana, Alon, Chung, Yunsie, Farina, David, Gillis, Ryan J., Liu, Mengjie, Yee, Nathan W., Blondal, Katrin, Mazeau, Emily, Grambow, Colin A., Payne, A. Mark, Spiekermann, Kevin A., Pang, Hao-Wei, Goldsmith, C. Franklin, West, Richard H., Green, William H.

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The impact of roaming radicals on the combustion properties of transportation fuels von West, Richard H., Goldsmith, C. Franklin

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Automatisierte Generierung von Mikrokinetiken für heterogen katalysierte Reaktionen unter Berücksichtigung korrelierter Unsicherheiten von Kreitz, Bjarne, Lott, Patrick, Studt, Felix, Medford, Andrew J., Deutschmann, Olaf, Goldsmith, C. Franklin

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Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by 3O2; Implications for Combustion Modeling and Simulation von Zhou, Chong-Wen, Simmie, John M, Somers, Kieran P, Goldsmith, C. Franklin, Curran, Henry J

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