David H. Wells, Ph.D. - Publications
Affiliations: | Purdue University, West Lafayette, IN, United States |
Area:
catalystsYear | Citation | Score | |||
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2006 | Wells DH, Joshi AM, Delgass WN, Thomson KT. A quantum chemical study of comparison of various propylene epoxidation mechanisms using H2O2 and TS-1 Catalyst. The Journal of Physical Chemistry. B. 110: 14627-39. PMID 16869565 DOI: 10.1021/Jp062368+ | 0.565 | |||
2004 | Wells DH, Delgass WN, Thomson KT. Evidence of defect-promoted reactivity for epoxidation of propylene in titanosilicate (TS-1) catalysts: a DFT study. Journal of the American Chemical Society. 126: 2956-62. PMID 14995213 DOI: 10.1021/Ja037741V | 0.601 | |||
2004 | Wells DH, Delgass WN, Thomson KT. Formation of hydrogen peroxide from H2 and O2 over a neutral gold trimer: A DFT study Journal of Catalysis. 225: 69-77. DOI: 10.1016/J.Jcat.2004.03.028 | 0.582 | |||
2004 | Thomson KT, Delgass N, Wells D, Joshi A. Significance of lattice site defects in nanoporous materials for enhancing catalytic activity: A DFT-based analysis of propylene epoxidation over AU/TS-1 catalysts Acs National Meeting Book of Abstracts. 228: CATL-23. | 0.521 | |||
2002 | Wells DH, Delgass WN, Thomson KT. Density functional theory investigation of gold cluster geometry and gas-phase reactivity with O2 Journal of Chemical Physics. 117: 10597-10603. DOI: 10.1063/1.1520137 | 0.542 | |||
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