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Ujjal Das, Ph.D. - Publications

Affiliations: 
2008 Chemistry Indiana University, Bloomington, Bloomington, IN, United States 
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17 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
2018 Liu C, Camacho-Bunquin J, Ferrandon M, Savara A, Sohn H, Yang D, Kaphan DM, Langeslay RR, Ignacio-de Leon PA, Liu S, Das U, Yang B, Hock AS, Stair PC, Curtiss LA, et al. Development of activity–descriptor relationships for supported metal ion hydrogenation catalysts on silica Polyhedron. 152: 73-83. DOI: 10.1016/J.Poly.2018.06.006  0.321
2017 Camacho-Bunquin J, Aich P, Ferrandon M, “Bean” Getsoian A, Das U, Dogan F, Curtiss LA, Miller JT, Marshall CL, Hock AS, Stair PC. Single-site zinc on silica catalysts for propylene hydrogenation and propane dehydrogenation: Synthesis and reactivity evaluation using an integrated atomic layer deposition-catalysis instrument Journal of Catalysis. 345: 170-182. DOI: 10.1016/J.Jcat.2016.10.017  0.355
2016 Camacho-Bunquin J, Ferrandon M, Das U, Dogan F, Liu C, Larsen C, Platero-Prats AE, Curtiss LA, Hock AS, Miller JT, Nguyen ST, Marshall CL, Delferro M, Stair PC. Supported Aluminum Catalysts for Olefin Hydrogenation Acs Catalysis. 7: 689-694. DOI: 10.1021/Acscatal.6B02771  0.311
2015 Das U, Zhang G, Hu B, Hock AS, Redfern PC, Miller JT, Curtiss LA. Effect of Siloxane Ring Strain and Cation Charge Density on the Formation of Coordinately Unsaturated Metal Sites on Silica: Insights from Density Functional Theory (DFT) Studies Acs Catalysis. 5: 7177-7185. DOI: 10.1021/Acscatal.5B01699  0.34
2014 Das U, Lau KC, Redfern PC, Curtiss LA. Structure and Stability of Lithium Superoxide Clusters and Relevance to Li-O2 Batteries. The Journal of Physical Chemistry Letters. 5: 813-9. PMID 26274072 DOI: 10.1021/Jz500084E  0.356
2014 Hu B, Getsoian A, Schweitzer NM, Das U, Kim H, Niklas J, Poluektov O, Curtiss LA, Stair PC, Miller JT, Hock AS. Selective propane dehydrogenation with single-site CoII on SiO2 by a non-redox mechanism Journal of Catalysis. 322: 24-37. DOI: 10.1016/J.Jcat.2014.10.018  0.367
2013 Gamoke BC, Das U, Hratchian HP, Raghavachari K. Divalent pseudoatoms for modeling Si(100) surfaces. The Journal of Chemical Physics. 139: 164708. PMID 24182065 DOI: 10.1063/1.4825402  0.579
2009 Das U, Raghavachari K. Predicting PH vibrations of gas phase molecules and surface-adsorbed species using bond length-frequency correlations. Journal of Computational Chemistry. 30: 1872-81. PMID 19115280 DOI: 10.1002/Jcc.21187  0.527
2009 Ferguson GA, Das U, Raghavachari K. Interaction of Lewis acids with Si(100)-2×1 and Ge(100)-2×1 surfaces Journal of Physical Chemistry C. 113: 10146-10150. DOI: 10.1021/Jp902313D  0.681
2008 Das U, Raghavachari K. Al5O4: A Superatom with Potential for New Materials Design. Journal of Chemical Theory and Computation. 4: 2011-9. PMID 26620474 DOI: 10.1021/Ct800232B  0.522
2008 Das U, Raghavachari K. AI5O4: A superatom with potential for new materials design Journal of Chemical Theory and Computation. 4: 2011-2019. DOI: 10.1021/ct800232b  0.351
2007 Das U, Raghavachari K. Interaction of water, methanol, and ammonia with AlxOy-: a comparative theoretical study of Al5O4- versus Al3O3-. The Journal of Chemical Physics. 127: 154310. PMID 17949152 DOI: 10.1063/1.2790012  0.502
2007 Das U, Raghavachari K, Woo RL, Hicks RF. Phosphine adsorption on the In-rich InP(001) surface: evidence of surface dative bonds at room temperature. Langmuir : the Acs Journal of Surfaces and Colloids. 23: 10109-15. PMID 17764199 DOI: 10.1021/La700790H  0.566
2006 Wyrwas RB, Jarrold CC, Das U, Raghavachari K. Addition of NH3 to Al3O3-. The Journal of Chemical Physics. 124: 201101. PMID 16774304 DOI: 10.1063/1.2206583  0.503
2006 Das U, Raghavachari K. Al-H bond formation in hydrated aluminum oxide cluster anions. The Journal of Chemical Physics. 124: 021101. PMID 16422560 DOI: 10.1063/1.2150813  0.545
2006 Woo RL, Das U, Cheng SF, Chen G, Raghavachari K, Hicks RF. Phosphine and tertiarybutylphosphine adsorption on the indium-rich InP (0 0 1)-(2 × 4) surface Surface Science. 600: 4888-4895. DOI: 10.1016/J.Susc.2006.08.014  0.548
2005 Das U, Raghavachari K, Jarrold CC. Addition of water to Al5O4- determined by anion photoelectron spectroscopy and quantum chemical calculations. The Journal of Chemical Physics. 122: 14313. PMID 15638665 DOI: 10.1063/1.1828043  0.497
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