Goldsmith CF - Search Results

1

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

Kreitz B, Lott P, Studt F, Medford AJ, Deutschmann O, Goldsmith CF. Kreitz B, et al. Among authors: goldsmith cf. Angew Chem Int Ed Engl. 2023 Sep 25;62(39):e202306514. doi: 10.1002/anie.202306514. Epub 2023 Aug 22. Angew Chem Int Ed Engl. 2023. PMID: 37505449

2

Heterogeneity in susceptibility dictates the order of epidemic models.

Rose C, Medford AJ, Goldsmith CF, Vegge T, Weitz JS, Peterson AA. Rose C, et al. Among authors: goldsmith cf. J Theor Biol. 2021 Nov 7;528:110839. doi: 10.1016/j.jtbi.2021.110839. Epub 2021 Jul 24. J Theor Biol. 2021. PMID: 34314731

3

Quantifying the Impact of Parametric Uncertainty on Automatic Mechanism Generation for CO₂ Hydrogenation on Ni(111).

Kreitz B, Sargsyan K, Blöndal K, Mazeau EJ, West RH, Wehinger GD, Turek T, Goldsmith CF. Kreitz B, et al. Among authors: goldsmith cf. JACS Au. 2021 Aug 16;1(10):1656-1673. doi: 10.1021/jacsau.1c00276. eCollection 2021 Oct 25. JACS Au. 2021. PMID: 34723269 Free PMC article.

4

Linking Experimental and Ab Initio Thermochemistry of Adsorbates with a Generalized Thermochemical Hierarchy.

Kreitz B, Abeywardane K, Goldsmith CF. Kreitz B, et al. Among authors: goldsmith cf. J Chem Theory Comput. 2023 Jul 11;19(13):4149-4162. doi: 10.1021/acs.jctc.3c00112. Epub 2023 Jun 24. J Chem Theory Comput. 2023. PMID: 37354113

5

Reaction Mechanism Generator v3.0: Advances in Automatic Mechanism Generation.

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. Liu M, et al. Among authors: goldsmith cf. J Chem Inf Model. 2021 Jun 28;61(6):2686-2696. doi: 10.1021/acs.jcim.0c01480. Epub 2021 May 28. J Chem Inf Model. 2021. PMID: 34048230

6

Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions.

Burke MP, Goldsmith CF, Klippenstein SJ, Welz O, Huang H, Antonov IO, Savee JD, Osborn DL, Zádor J, Taatjes CA, Sheps L. Burke MP, et al. Among authors: goldsmith cf. J Phys Chem A. 2015 Jul 16;119(28):7095-115. doi: 10.1021/acs.jpca.5b01003. Epub 2015 Jun 11. J Phys Chem A. 2015. PMID: 25946172

7

An Experimental and Theoretical Study of the Thermal Decomposition of C₄H₆ Isomers.

Lockhart JPA, Goldsmith CF, Randazzo JB, Ruscic B, Tranter RS. Lockhart JPA, et al. Among authors: goldsmith cf. J Phys Chem A. 2017 May 25;121(20):3827-3850. doi: 10.1021/acs.jpca.7b01186. Epub 2017 May 16. J Phys Chem A. 2017. PMID: 28440652

8

Theory-Based Mechanism for Fluoromethane Combustion I: Thermochemistry and Abstraction Reactions.

Sharma S, Abeywardane K, Goldsmith CF. Sharma S, et al. Among authors: goldsmith cf. J Phys Chem A. 2023 Feb 16;127(6):1499-1511. doi: 10.1021/acs.jpca.2c06623. Epub 2023 Feb 6. J Phys Chem A. 2023. PMID: 36745864

9

Diastereomers and Low-Temperature Oxidation.

Danilack AD, Mulvihill CR, Klippenstein SJ, Goldsmith CF. Danilack AD, et al. Among authors: goldsmith cf. J Phys Chem A. 2021 Sep 16;125(36):8064-8073. doi: 10.1021/acs.jpca.1c05635. Epub 2021 Sep 1. J Phys Chem A. 2021. PMID: 34469163

10

Database of small molecule thermochemistry for combustion.

Goldsmith CF, Magoon GR, Green WH. Goldsmith CF, et al. J Phys Chem A. 2012 Sep 13;116(36):9033-57. doi: 10.1021/jp303819e. Epub 2012 Aug 29. J Phys Chem A. 2012. PMID: 22873426

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