Rangarajan S - Search Results

1

Revealing the Nature of Active Oxygen Species and Reaction Mechanism of Ethylene Epoxidation by Supported Ag/α-Al₂O₃ Catalysts.

Pu T, Setiawan A, Foucher AC, Guo M, Jehng JM, Zhu M, Ford ME, Stach EA, Rangarajan S, Wachs IE. Pu T, et al. Among authors: rangarajan s. ACS Catal. 2023 Dec 19;14(1):406-417. doi: 10.1021/acscatal.3c04361. eCollection 2024 Jan 5. ACS Catal. 2023. PMID: 38205022 Free PMC article.

2

Combining Computational Modeling with Reaction Kinetics Experiments for Elucidating the In Situ Nature of the Active Site in Catalysis.

Bhandari S, Rangarajan S, Mavrikakis M. Bhandari S, et al. Among authors: rangarajan s. Acc Chem Res. 2020 Sep 15;53(9):1893-1904. doi: 10.1021/acs.accounts.0c00340. Epub 2020 Sep 1. Acc Chem Res. 2020. PMID: 32869965

3

Actively Learned Optimal Sustainable Operation of Plasma-Catalyzed Methane Bireforming on La_0.7Ce_0.3NiO₃ Perovskite Catalyst.

Gonzalez-Casamachin DA, Qin T, Huang WM, Rangarajan S, Zhang L, Baltrusaitis J. Gonzalez-Casamachin DA, et al. Among authors: rangarajan s. ACS Sustain Chem Eng. 2023 Dec 22;12(1):610-622. doi: 10.1021/acssuschemeng.3c06929. eCollection 2024 Jan 8. ACS Sustain Chem Eng. 2023. PMID: 38213547 Free PMC article.

4

Machine Learning and Informatics Based Elucidation of Reaction Pathways for Upcycling Model Polyolefin to Aromatics.

Chang CF, Rangarajan S. Chang CF, et al. Among authors: rangarajan s. J Phys Chem A. 2023 Apr 6;127(13):2958-2966. doi: 10.1021/acs.jpca.3c01444. Epub 2023 Mar 28. J Phys Chem A. 2023. PMID: 36975726 Free PMC article.

5

Elucidating Local Structure and Positional Effect of Dopants in Colloidal Transition Metal Dichalcogenide Nanosheets for Catalytic Hydrogenolysis.

Farrell SL, Khwaja M, Paredes IJ, Oyuela C, Clarke W, Osinski N, Ebrahim AM, Paul SJ, Kannan H, Mo Lnås H, Ma L, Ehrlich SN, Liu X, Riedo E, Rangarajan S, Frenkel AI, Sahu A. Farrell SL, et al. Among authors: rangarajan s. J Phys Chem C Nanomater Interfaces. 2024 Mar 6;128(11):4470-4482. doi: 10.1021/acs.jpcc.3c07408. eCollection 2024 Mar 21. J Phys Chem C Nanomater Interfaces. 2024. PMID: 38533242 Free PMC article.

6

Predicting Adsorption Energies Using Multifidelity Data.

Tian H, Rangarajan S. Tian H, et al. Among authors: rangarajan s. J Chem Theory Comput. 2019 Oct 8;15(10):5588-5600. doi: 10.1021/acs.jctc.9b00336. Epub 2019 Sep 3. J Chem Theory Comput. 2019. PMID: 31419114

7

Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents.

Rzepa C, Siderius DW, Hatch HW, Shen VK, Rangarajan S, Mittal J. Rzepa C, et al. Among authors: rangarajan s. J Phys Chem C Nanomater Interfaces. 2020;124(30):10.1021/acs.jpcc.0c02671. doi: 10.1021/acs.jpcc.0c02671. J Phys Chem C Nanomater Interfaces. 2020. PMID: 33643514 Free PMC article.

8

Data-driven discovery of sparse dynamical model of cardiovascular system for model predictive control.

Prabhu S, Rangarajan S, Kothare M. Prabhu S, et al. Among authors: rangarajan s. Comput Biol Med. 2023 Oct 1;166:107513. doi: 10.1016/j.compbiomed.2023.107513. Online ahead of print. Comput Biol Med. 2023. PMID: 37839218

9

Designing Molecular Building Blocks for the Self-assembly of Complex Porous Networks.

Maula TA, Hatch HW, Shen VK, Rangarajan S, Mittal J. Maula TA, et al. Among authors: rangarajan s. Mol Syst Des Eng. 2019;4:10.1039/c9me00006b. doi: 10.1039/c9me00006b. Mol Syst Des Eng. 2019. PMID: 33282339 Free PMC article.

10

Site-dependent reactivity of MoS₂ nanoparticles in hydrodesulfurization of thiophene.

Salazar N, Rangarajan S, Rodríguez-Fernández J, Mavrikakis M, Lauritsen JV. Salazar N, et al. Among authors: rangarajan s. Nat Commun. 2020 Aug 31;11(1):4369. doi: 10.1038/s41467-020-18183-4. Nat Commun. 2020. PMID: 32868769 Free PMC article.

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