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1دورية أكاديمية
المؤلفون: Qi, G, Davies, TE, Nasrallah, A, Sainna, MA, Howe, AGR, Lewis, RJ, Quesne, M, Catlow, CRA, Willock, DJ, He, Q, Bethell, D, Howard, MJ, Murrer, BA, Harrison, B, Kiely, CJ, Zhao, X, Deng, F, Xu, J, Hutchings, GJ
المصدر: Nature Catalysis , 5 pp. 45-54. (2022)
وصف الملف: text
العلاقة: https://discovery.ucl.ac.uk/id/eprint/10167323/1/Au%20ZSM%205%20catalyses%20the%20selective%20oxidation.pdfTest; https://discovery.ucl.ac.uk/id/eprint/10167323Test/
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2دورية أكاديمية
المؤلفون: Keal, TW, Elena, AM, Sokols, A, Stoneham, K, Probert, MIJ, Cucinotta, CS, Willock, DJ, Logsdail, A, Zen, A, Hasnip, PJ, Bush, IJ, Watkins, M, Alfe, D, Skylaris, C-K, Curchod, BFE, Cai, Q, Woodley, S
المصدر: Computing in Science and Engineering (2022)
وصف الملف: text
العلاقة: https://discovery.ucl.ac.uk/id/eprint/10141418/3/Woodley_CISESI-2021-07-0077.R1_Woodley.pdfTest; https://discovery.ucl.ac.uk/id/eprint/10141418Test/
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3دورية أكاديمية
المؤلفون: Keal TW, Elena A, Sokol AA, Stoneham K, Probert MIJ, Cucinotta CS, Willock DJ, Logsdail AJ, Zen A, Hasnip PJ, Bush IJ, Watkins M, Alfe D, Skylaris C, Curchod BFE, Cai Q, Woodley SM
العلاقة: urn:ISSN:1521-9615; Comp Sci Eng; http://purl.org/net/epubs/series/1428Test; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/52464294Test; http://purl.org/net/epubs/manifestation/52464339/STFC-AAM-2022-006.pdfTest
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4دورية أكاديمية
المؤلفون: Nasrallah, A, Engel, J, Catlow, CRA, Willock, DJ
المصدر: The Journal of Physical Chemistry C , 125 (34) pp. 18770-18785. (2021)
مصطلحات موضوعية: Science & Technology, Physical Sciences, Technology, Chemistry, Physical, Nanoscience & Nanotechnology, Materials Science, Multidisciplinary, Science & Technology - Other Topics, INITIO MOLECULAR-DYNAMICS, TOTAL-ENERGY CALCULATIONS, FINDING SADDLE-POINTS, DIRECT CONVERSION, PHASE OXIDATION, HYDROGEN, GAS, TRANSITION, CATALYSTS, COLLOIDS
وصف الملف: text
العلاقة: https://discovery.ucl.ac.uk/id/eprint/10137266/1/Methane_to_Methanol_submitted_JPCC_July_2021.pdfTest; https://discovery.ucl.ac.uk/id/eprint/10137266Test/
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5دورية أكاديمية
المؤلفون: Campisi, S, Beevers, C, Nasrallah, A, Catlow, CRA, Chan-Thaw, CE, Manzoli, M, Dimitratos, N, Willock, DJ, Roldan, A, Villa, A
المصدر: Journal of Physical Chemistry C , 124 (8) pp. 4781-4790. (2020)
وصف الملف: text
العلاقة: https://discovery.ucl.ac.uk/id/eprint/10123114/1/DFT-Assisted%20Spectroscopic%20Studies%20on%20the%20Coordination%20of%20Small%20Ligands%20to%20Palladium%20From%20Isolated%20Ions%20to%20Nanoparticles.pdfTest; https://discovery.ucl.ac.uk/id/eprint/10123114Test/
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6دورية أكاديمية
المؤلفون: Agarwal, N, Thomas, L, Nasrallah, A, Sainna, MA, Freakley, SJ, Edwards, JK, Catlow, CRA, Hutchings, GJ, Taylor, SH, Willock, DJ
المصدر: Catalysis Today (2020) (In press).
مصطلحات موضوعية: DFT calculations, Nanoparticles, Oxidation, Catalysis, Hydrogenperoxide, Reaction scheme
وصف الملف: text
العلاقة: https://discovery.ucl.ac.uk/id/eprint/10117202/1/2.%201-s2.0-S0920586120306350-main.pdfTest; https://discovery.ucl.ac.uk/id/eprint/10117202Test/
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7دورية أكاديمية
المؤلفون: Chutia, A, Willock, DJ, Catlow, CRA
المصدر: Faraday Discussions , 208 pp. 123-145. (2018)
وصف الملف: text
العلاقة: https://discovery.ucl.ac.uk/id/eprint/10065209/1/c8fd00002f.pdfTest; https://discovery.ucl.ac.uk/id/eprint/10065209Test/
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8دورية أكاديمية
المؤلفون: Chutia, A, Gibson, EK, Farrow, MR, Wells, PP, Scanlon, DO, Dimitratos, N, Willock, DJ, Catlow, CRA
المصدر: Physical Chemistry Chemical Physics , 19 (40) pp. 27191-27203. (2017)
مصطلحات موضوعية: Science & Technology, Physical Sciences, Chemistry, Physical, Physics, Atomic, Molecular & Chemical, DENSITY-FUNCTIONAL THEORY, INITIO MOLECULAR-DYNAMICS, IN-SITU, METAL, SPECTROSCOPY, CATALYST, WATER, OXIDE, CERIA, CEO2
وصف الملف: text
العلاقة: https://discovery.ucl.ac.uk/id/eprint/10048316/1/Chutia_Adsorption.pdfTest; https://discovery.ucl.ac.uk/id/eprint/10048316Test/
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9دورية أكاديمية
المؤلفون: Keal TW, Elena A, Sokol AA, Stoneham K, Probert MIJ, Cucinotta CS, Willock DJ, Logsdail AJ, Zen A, Hasnip PJ, Bush IJ, Watkins M, Alfe D, Skylaris C, Curchod BFE, Cai Q, Woodley SM
العلاقة: urn:ISSN:1521-9615; Comp Sci Eng; http://purl.org/net/epubs/series/1428Test; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/52007132Test
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10دورية أكاديمية
المؤلفون: Zeinalipour-Yazdi, CD, Willock, DJ, Thomas, L, Wilson, K, Lee, AF
المصدر: Surface Science , 646 pp. 210-220. (2016)
مصطلحات موضوعية: Palladium, Nanoparticles, Carbon monoxide, Density functional theory, Chemisorption, IR spectroscopy
وصف الملف: text
العلاقة: https://discovery.ucl.ac.uk/id/eprint/1480820/1/Zeinalipour-Yazdi_CO%20adsorption%20over%20Pd%20nanoparticles_.pdfTest; https://discovery.ucl.ac.uk/id/eprint/1480820Test/