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C. Franklin Goldsmith, Ph.D. - Publications

Affiliations: 
Chemical Engineering Brown University, Providence, RI 
Area:
Chemical Kinetics
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38 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Stocker S, Jung H, Csányi G, Goldsmith CF, Reuter K, Margraf JT. Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration. Journal of Chemical Theory and Computation. 19: 6796-6804. PMID 37747812 DOI: 10.1021/acs.jctc.3c00541  0.33
2023 Kreitz B, Lott P, Medford AJ, Studt F, Deutschmann O, Goldsmith CF. Automated Generation of Microkinetics for Heterogeneously Catalyzed Reactions Considering Correlated Uncertainties. Angewandte Chemie (International Ed. in English). e202306514. PMID 37505449 DOI: 10.1002/anie.202306514  0.367
2023 Kreitz B, Abeywardane K, Goldsmith CF. Linking Experimental and Thermochemistry of Adsorbates with a Generalized Thermochemical Hierarchy. Journal of Chemical Theory and Computation. 19: 4149-4162. PMID 37354113 DOI: 10.1021/acs.jctc.3c00112  0.326
2022 Johnson MS, Dong X, Grinberg Dana A, Chung Y, Farina D, Gillis RJ, Liu M, Yee NW, Blondal K, Mazeau E, Grambow CA, Payne AM, Spiekermann KA, Pang HW, Goldsmith CF, et al. RMG Database for Chemical Property Prediction. Journal of Chemical Information and Modeling. PMID 36222558 DOI: 10.1021/acs.jcim.2c00965  0.658
2021 Kreitz B, Sargsyan K, Blöndal K, Mazeau EJ, West RH, Wehinger GD, Turek T, Goldsmith CF. Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO Hydrogenation on Ni(111). Jacs Au. 1: 1656-1673. PMID 34723269 DOI: 10.1021/jacsau.1c00276  0.765
2021 Liu M, Grinberg Dana A, Johnson MS, Goldman MJ, Jocher A, Payne AM, Grambow CA, Han K, Yee NW, Mazeau EJ, Blondal K, West RH, Goldsmith CF, Green WH. Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation. Journal of Chemical Information and Modeling. PMID 34048230 DOI: 10.1021/acs.jcim.0c01480  0.643
2020 Gorn MV, Gritsan NP, Goldsmith CF, Kiselev VG. Thermal Stability of Bis-Tetrazole and Bis-Triazole Derivatives with Long Catenated Nitrogen Chains: Quantitative Insights from High-Level Quantum Chemical Calculations. Journal of Physical Chemistry A. PMID 32786967 DOI: 10.1021/Acs.Jpca.0C04985  0.368
2020 Chen X, Goldsmith CF. Accelerating Variational Transition State Theory via Artificial Neural Networks. The Journal of Physical Chemistry. A. PMID 31927954 DOI: 10.1021/Acs.Jpca.9B11507  0.365
2019 Kiselev VG, Goldsmith CF. Accurate Thermochemistry of Novel Energetic Fused Tricyclic 1,2,3,4-Tetrazine Nitro Derivatives from Local Coupled Cluster Methods. Journal of Physical Chemistry A. 123: 9818-9827. PMID 31633937 DOI: 10.1021/Acs.Jpca.9B08356  0.377
2019 Fuller ME, Skowron M, Tranter RS, Goldsmith CF. A modular, multi-diagnostic, automated shock tube for gas-phase chemistry. The Review of Scientific Instruments. 90: 064104. PMID 31255004 DOI: 10.1063/1.5095077  0.307
2019 Fuller ME, Goldsmith CF. A Shock Tube Laser Schlieren Study of the Pyrolysis of Isopropyl Nitrate. The Journal of Physical Chemistry. A. PMID 31192602 DOI: 10.1021/Acs.Jpca.9B03325  0.365
2019 Kiselev VG, Goldsmith CF. Accurate Prediction of Bond Dissociation Energies and Barrier Heights for High-Energy Caged Nitro and Nitroamino Compounds Using a Coupled Cluster Theory. Journal of Physical Chemistry A. 123: 4883-4890. PMID 30920217 DOI: 10.1021/Acs.Jpca.9B01506  0.355
2019 Chen X, Fuller ME, Goldsmith CF. Decomposition kinetics for HONO and HNO2 Reaction Chemistry and Engineering. 4: 323-333. DOI: 10.1039/C8Re00201K  0.359
2019 Blondal K, Jelic J, Mazeau E, Studt F, West RH, Goldsmith CF. Computer-Generated Kinetics for Coupled Heterogeneous/Homogeneous Systems: A Case Study in Catalytic Combustion of Methane on Platinum Industrial & Engineering Chemistry Research. 58: 17682-17691. DOI: 10.1021/Acs.Iecr.9B01464  0.774
2018 Kiselev VG, Muravyev NV, Monogarov KA, Gribanov PS, Asachenko AF, Fomenkov IV, Goldsmith CF, Pivkina AN, Gritsan NP. Toward reliable characterization of energetic materials: interplay of theory and thermal analysis in the study of the thermal stability of tetranitroacetimidic acid (TNAA) Physical Chemistry Chemical Physics. 20: 29285-29298. PMID 30430162 DOI: 10.1039/C8Cp05619F  0.461
2018 Middaugh JE, Buras ZJ, Matrat M, Chu TC, Kim YS, Alecu IM, Vasiliou AK, Goldsmith CF, Green WH. 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: 074102. PMID 30068092 DOI: 10.1063/1.5024399  0.724
2018 Tranter RS, Lynch PT, Randazzo JB, Lockhart JPA, Chen X, Goldsmith CF. High temperature pyrolysis of 2-methyl furan. Physical Chemistry Chemical Physics : Pccp. PMID 29451290 DOI: 10.1039/C7Cp07775K  0.309
2018 West RH, Goldsmith CF. The Impact of Roaming Radicals on the Combustion Properties of Transportation Fuels Combustion and Flame. 194: 387-395. DOI: 10.1016/J.Combustflame.2018.05.020  0.774
2017 Chen X, Goldsmith CF. A Theoretical and Computational Analysis of the Methyl-Vinyl + O2 Reaction and Its Effects on Propene Combustion. The Journal of Physical Chemistry. A. PMID 29111733 DOI: 10.1021/Acs.Jpca.7B07594  0.403
2017 Zhou CW, Simmie JM, Somers KP, Goldsmith CF, Curran HJ. Chemical Kinetics of Hydrogen Atom Abstraction from Allylic Sites by (3)O2; Implications for Combustion Modelling and Simulation. The Journal of Physical Chemistry. A. PMID 28195726 DOI: 10.1021/Acs.Jpca.6B12144  0.375
2017 Goldsmith CF, West RH. Automatic Generation of Microkinetic Mechanisms for Heterogeneous Catalysis Journal of Physical Chemistry C. 121: 9970-9981. DOI: 10.1021/Acs.Jpcc.7B02133  0.805
2016 Labbe NJ, Sivaramakrishnan R, Goldsmith CF, Georgievskii Y, Miller JA, Klippenstein SJ. Weakly Bound Free Radicals in Combustion: "Prompt" Dissociation of Formyl Radicals and Its Effect on Laminar Flame Speeds. The Journal of Physical Chemistry Letters. 7: 85-9. PMID 26655248 DOI: 10.1021/Acs.Jpclett.5B02418  0.415
2016 Gimenez-Lopez J, Rasmussen CT, Hashemi H, Alzueta MU, Gao Y, Marshall P, Goldsmith CF, Glarborg P. Experimental and Kinetic Modeling Study of C2H2 Oxidation at High Pressure International Journal of Chemical Kinetics. 48: 724-738. DOI: 10.1002/Kin.21028  0.394
2015 Goldsmith CF, Harding LB, Georgievskii Y, Miller JA, Klippenstein SJ. Temperature and Pressure-Dependent Rate Coefficients for the Reaction of Vinyl Radical with Molecular Oxygen. The Journal of Physical Chemistry. A. 119: 7766-79. PMID 25978112 DOI: 10.1021/Acs.Jpca.5B01088  0.357
2015 Burke MP, Goldsmith CF, Klippenstein SJ, Welz O, Huang H, Antonov IO, Savee JD, Osborn DL, Zádor J, Taatjes CA, Sheps L. Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions. The Journal of Physical Chemistry. A. PMID 25946172 DOI: 10.1021/Acs.Jpca.5B01003  0.504
2015 Welz O, Burke MP, Antonov IO, Goldsmith CF, Savee JD, Osborn DL, Taatjes CA, Klippenstein SJ, Sheps L. New Insights into Low-Temperature Oxidation of Propane from Synchrotron Photoionization Mass Spectrometry and Multiscale Informatics Modeling. The Journal of Physical Chemistry. A. 119: 7116-29. PMID 25860187 DOI: 10.1021/Acs.Jpca.5B01008  0.403
2015 Merchant SS, Goldsmith CF, Vandeputte AG, Burke MP, Klippenstein SJ, Green WH. Understanding low-temperature first-stage ignition delay: Propane Combustion and Flame. 162: 3658-3673. DOI: 10.1016/J.Combustflame.2015.07.005  0.771
2013 Moradi CP, Morrison AM, Klippenstein SJ, Goldsmith CF, Douberly GE. Propargyl + O2 reaction in helium droplets: entrance channel barrier or not? The Journal of Physical Chemistry. A. 117: 13626-35. PMID 24015722 DOI: 10.1021/Jp407652F  0.354
2012 Goldsmith CF, Magoon GR, Green WH. Database of small molecule thermochemistry for combustion. The Journal of Physical Chemistry. A. 116: 9033-57. PMID 22873426 DOI: 10.1021/Jp303819E  0.779
2012 Goldsmith CF, Green WH, Klippenstein SJ. Role of O2 + QOOH in low-temperature ignition of propane. 1. Temperature and pressure dependent rate coefficients. The Journal of Physical Chemistry. A. 116: 3325-46. PMID 22250995 DOI: 10.1021/Jp210722W  0.495
2012 Allen JW, Goldsmith CF, Green WH. Automatic estimation of pressure-dependent rate coefficients. Physical Chemistry Chemical Physics : Pccp. 14: 1131-55. PMID 22146884 DOI: 10.1039/C1Cp22765C  0.705
2011 Goldsmith CF, Klippenstein SJ, Green WH. Theoretical rate coefficients for allyl + HO2 and allyloxy decomposition Proceedings of the Combustion Institute. 33: 273-282. DOI: 10.1016/j.proci.2010.05.054  0.41
2009 Goldsmith CF, Ismail H, Green WH. Pressure and temperature dependence of the reaction of vinyl radical with alkenes III: measured rates and predicted product distributions for vinyl + butene. The Journal of Physical Chemistry. A. 113: 13357-71. PMID 19624112 DOI: 10.1021/Jp9042039  0.693
2009 Goldsmith CF, Ismail H, Abel PR, Green WH. Pressure and temperature dependence of the reaction of vinyl radical with alkenes II: Measured rates and predicted product distributions for vinyl + propene Proceedings of the Combustion Institute. 32: 139-148. DOI: 10.1016/j.proci.2008.06.142  0.681
2009 West RH, Shirley RA, Kraft M, Goldsmith CF, Green WH. A detailed kinetic model for combustion synthesis of titania from TiCl4 Combustion and Flame. 156: 1764-1770. DOI: 10.1016/J.Combustflame.2009.04.011  0.784
2007 Ismail H, Goldsmith CF, Abel PR, Howe PT, Fahr A, Halpern JB, Jusinski LE, Georgievskii Y, Taatjes CA, Green WH. Pressure and temperature dependence of the reaction of vinyl radical with ethylene. The Journal of Physical Chemistry. A. 111: 6843-51. PMID 17569512 DOI: 10.1021/Jp071041L  0.702
2007 Wen JZ, Goldsmith CF, Ashcraft RW, Green WH. Detailed kinetic modeling of iron nanoparticle synthesis from the decomposition of Fe(CO)5 Journal of Physical Chemistry C. 111: 5677-5688. DOI: 10.1021/Jp066579Q  0.753
2007 Ismail H, Abel PR, Goldsmith CF, Green WH, Jusinski LE, Taatjes CA. Measuring vinyl radical kinetics with a flash-photolysis picosecond Ti:sapphire laser absorption spectrometer 2007 Aiche Annual Meeting.  0.416
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