Rachel B Getman

TitleAssistant Professor
InstitutionClemson University
DepartmentDepartment of Chemical and Biomolecular Engineering
Address125 Earle Hall
Clemson, South Carolina 29634
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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Faculty can login to make corrections and additions.
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    PMC Citations indicate the number of times the publication was cited by articles in PubMed Central, and the Altmetric score represents citations in news articles and social media. (Note that publications are often cited in additional ways that are not shown here.) Fields are based on how the National Library of Medicine (NLM) classifies the publication's journal and might not represent the specific topic of the publication. Translation tags are based on the publication type and the MeSH terms NLM assigns to the publication. Some publications (especially newer ones and publications not in PubMed) might not yet be assigned Field or Translation tags.) Click a Field or Translation tag to filter the publications.
    1. Zhang X, Savara A, Getman RB. A Method for Obtaining Liquid-Solid Adsorption Rates from Molecular Dynamics Simulations: Applied to Methanol on Pt(111) in H2O. J Chem Theory Comput. 2020 Apr 14; 16(4):2680-2691. PMID: 32134649.
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    2. Bodenschatz CJ, Xie T, Zhang X, Getman RB. Insights into how the aqueous environment influences the kinetics and mechanisms of heterogeneously-catalyzed COH* and CH3OH* dehydrogenation reactions on Pt(111). Phys Chem Chem Phys. 2019 May 15; 21(19):9895-9904. PMID: 31038522.
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    3. Bodenschatz CJ, Zhang X, Xie T, Arvay J, Sarupria S, Getman RB. Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics. J Vis Exp. 2019 04 12; (146). PMID: 31033957.
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    4. Zhang X, DeFever RS, Sarupria S, Getman RB. Free Energies of Catalytic Species Adsorbed to Pt(111) Surfaces under Liquid Solvent Calculated Using Classical and Quantum Approaches. J Chem Inf Model. 2019 05 28; 59(5):2190-2198. PMID: 30821458.
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    5. Kim IS, Li Z, Zheng J, Platero-Prats AE, Mavrandonakis A, Pellizzeri S, Ferrandon M, Vjunov A, Gallington LC, Webber TE, Vermeulen NA, Penn RL, Getman RB, Cramer CJ, Chapman KW, Camaioni DM, Fulton JL, Lercher JA, Farha OK, Hupp JT, Martinson ABF. Sinter-Resistant Platinum Catalyst Supported by Metal-Organic Framework. Angew Chem Int Ed Engl. 2018 01 22; 57(4):909-913. PMID: 29205697.
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    6. Liao P, Getman RB, Snurr RQ. Optimizing Open Iron Sites in Metal-Organic Frameworks for Ethane Oxidation: A First-Principles Study. ACS Appl Mater Interfaces. 2017 Oct 04; 9(39):33484-33492. PMID: 28394564.
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    7. Dix ST, Scott JK, Getman RB, Campbell CT. Using degrees of rate control to improve selective n-butane oxidation over model MOF-encapsulated catalysts: sterically-constrained Ag3Pd(111). Faraday Discuss. 2016 07 04; 188:21-38. PMID: 27271786.
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    8. Gomez-Gualdron DA, Dix ST, Getman RB, Snurr RQ. A modelling approach for MOF-encapsulated metal catalysts and application to n-butane oxidation. Phys Chem Chem Phys. 2015 Nov 07; 17(41):27596-608. PMID: 26426485.
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    9. Getman RB. Molecular simulations: Force fields for carbon capture. Nat Chem. 2012 Oct; 4(10):777-8. PMID: 23000988.
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    10. Yuan D, Getman RB, Wei Z, Snurr RQ, Zhou HC. Stepwise adsorption in a mesoporous metal-organic framework: experimental and computational analysis. Chem Commun (Camb). 2012 Apr 04; 48(27):3297-9. PMID: 22358259.
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    11. Getman RB, Bae YS, Wilmer CE, Snurr RQ. Review and analysis of molecular simulations of methane, hydrogen, and acetylene storage in metal-organic frameworks. Chem Rev. 2012 Feb 08; 112(2):703-23. PMID: 22188435.
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    12. Xu Y, Getman RB, Shelton WA, Schneider WF. A first-principles investigation of the effect of Pt cluster size on CO and NO oxidation intermediates and energetics. Phys Chem Chem Phys. 2008 Oct 21; 10(39):6009-18. PMID: 18825289.
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