Claude Franklin Goldsmith - Dissemin

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All papers authored by Claude Franklin Goldsmith

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2023 Bjarne Kreitz

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, Andrew J. Medford

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, Olaf Deutschmann

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, C. Franklin Goldsmith

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Automatisierte Generierung von Mikrokinetiken für heterogen katalysierte Reaktionen unter Berücksichtigung korrelierter Unsicherheiten**

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Bjarne Kreitz

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, Andrew J. Medford

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, Olaf Deutschmann

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, C. Franklin Goldsmith

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Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties**

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2022 Bjarne Kreitz

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, Katrín Blöndal

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, Sofia Angeli, Zachary W. Ulissi

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, C. Franklin Goldsmith

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, Olaf Deutschmann

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Detailed Microkinetics for the Oxidation of Exhaust Gas Emissions through Automated Mechanism Generation

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2021 Shivaiah Vaddypally

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, Vitaly G. Kiselev

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, Alex N. Byrne, C. Franklin Goldsmith

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, Michael John Zdilla

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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

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2020 Margarita V. Gorn

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, Nina P. Gritsan

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, C. Franklin Goldsmith

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, Vitaly G. Kiselev

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Thermal Stability of Bis-Tetrazole and Bis-Triazole Derivatives with Long Catenated Nitrogen Chains: Quantitative Insights from High-Level Quantum Chemical Calculations

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2019 Vitaly G. Kiselev

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, C. Franklin Goldsmith

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Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods

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Vitaly G. Kiselev

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, C. Franklin Goldsmith

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Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory

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2018 Vitaly G. Kiselev

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, Nikita V. Muravyev

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, Konstantin A. Monogarov

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, Pavel S. Gribanov

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, Andrey F. Asachenko

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, Igor V. Fomenkov, C. Franklin Goldsmith

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, Alla N. Pivkina

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, Nina P. Gritsan

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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)

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