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1Academic Journal
المؤلفون: Abdul Nasir J, Guan J, Keal TW, Lu Y, Sokol AA, Catlow CRA
Relation: urn:ISSN:0021-9517; J Catalysis; http://purl.org/net/epubs/series/1543; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/59754377
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2Academic Journal
المؤلفون: Zhu L, Zhang X, Hou Q, Lu Y, Keal TW, Buckeridge J, Catlow CRA, Sokol AA
Relation: urn:ISSN:2050-7488; J Mater Chem A; http://purl.org/net/epubs/series/2224; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/59754330
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3Academic Journal
المؤلفون: Zhang X, Blackman C, Palgrave RG, Ashraf S, Dey A, Blunt MO, Liu T, Sun S, Zhu L, Guan J, Lu Y, Keal TW, Buckeridge J, Catlow CRA, Sokol AA
Relation: urn:ISSN:0002-7863; J Am Chem Soc; http://purl.org/net/epubs/series/1612; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/58397812
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4Academic Journal
المؤلفون: Xie Z, Buckeridge J, Catlow CRA, Zhang A, Keal TW, Sherwood P, Lu Y, Woodley SM, Sokol AA
Relation: urn:ISSN:2166-532X; APL Mater; http://purl.org/net/epubs/series/36669926; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/54425776
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5Academic Journal
المؤلفون: Guan J, Lu Y, Sen K, Abdul Nasir J, Desmoutier AW, Hou Q, Zhang X, Logsdail AJ, Dutta G, Beale AM, Strange RW, Yong C, Sherwood P, Senn HM, Catlow CRA, Keal TW, Sokol AA
Relation: urn:ISSN:1471-2962; Philos T Roy Soc A; http://purl.org/net/epubs/series/1181; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/54144842
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6Academic Journal
المؤلفون: Lu Y, Sen K, Yong C, Gunn DSD, Purton JA, Guan J, Desmoutier A, Abdul Nasir J, Zhang X, Zhu L, Hou Q, Jackson-Masters J, Watts S, Hanson R, Thomas HN, Jayawardena O, Logsdail AJ, Woodley SM, Senn HM, Sherwood P, Catlow CRA, Sokol AA, Keal TW
Relation: urn:ISSN:1463-9076; Phys Chem Chem Phys; http://purl.org/net/epubs/series/1193; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/54093771
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7Academic Journal
المؤلفون: Zhang X, Liu T, Zhu L, Guan J, Lu Y, Keal TW, Buckeridge J, Catlow CRA, Sokol AA
Relation: urn:ISSN:1433-7851; Angew Chem Int Ed; http://purl.org/net/epubs/series/1339; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/54425657
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8Academic Journal
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
Relation: https://discovery.ucl.ac.uk/id/eprint/10141418/3/Woodley_CISESI-2021-07-0077.R1_Woodley.pdf; https://discovery.ucl.ac.uk/id/eprint/10141418/
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9Academic Journal
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
Relation: urn:ISSN:1521-9615; Comp Sci Eng; http://purl.org/net/epubs/series/1428; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/52464294; http://purl.org/net/epubs/manifestation/52464339/STFC-AAM-2022-006.pdf
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10Academic Journal
المؤلفون: Zhang X, Zhu L, Hou Q, Guan J, Lu Y, Keal TW, Buckeridge J, Catlow CRA, Sokol AA
Relation: urn:ISSN:0897-4756; Chem Mater; http://purl.org/net/epubs/series/1414; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/53832769
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11Academic Journal
المؤلفون: Abdul Nasir J, Guan J, Keal TW, Desmoutier AW, Lu Y, Beale AM, Catlow CRA, Sokol AA
Relation: urn:ISSN:0002-7863; J Am Chem Soc; http://purl.org/net/epubs/series/1612; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/53775798
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12Academic Journal
المؤلفون: Hou, Q, Buckeridge, J, Walsh, A, Xie, Z, Lu, Y, Keal, TW, Guan, J, Woodley, SM, Catlow, CRA, Sokol, AA
المصدر: Frontiers in Chemistry , 9 , Article 780935. (2021)
مصطلحات موضوعية: zinc oxide, copper, hybrid QM/MM, dopant, defects
وصف الملف: text
Relation: https://discovery.ucl.ac.uk/id/eprint/10141203/1/fchem-09-780935.pdf; https://discovery.ucl.ac.uk/id/eprint/10141203/
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13Academic Journal
المؤلفون: Hou Q, Buckeridge J, Walsh A, Xie Z, Lu Y, Keal TW, Guan J, Woodley SM, Catlow CRA, Sokol AA
Relation: urn:ISSN:2296-2646; Front Chem; http://purl.org/net/epubs/series/48189825; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/51172616
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14Academic Journal
المؤلفون: Sen K, Hough MA, Strange RW, Yong C, Keal TW
Relation: urn:ISSN:1520-5207; J Phys Chem B; http://purl.org/net/epubs/series/2025; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/50351985
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15Academic Journal
المؤلفون: Xie, Z, Sui, Y, Buckeridge, J, Catlow, CRA, Keal, TW, Sherwood, P, Walsh, A, Farrow, MR, Scanlon, DO, Woodly, SM, Sokol, AA
المصدر: Journal of Physics D: Applied Physics , 52 (33) , Article 335104. (2019)
مصطلحات موضوعية: Gallium nitride, native point defects, donor, acceptor, photoluminescence, hybrid QM/MM, embedding
وصف الملف: text
Relation: https://discovery.ucl.ac.uk/id/eprint/10078038/1/Xie_2019_J._Phys._D__Appl._Phys._52_335104.pdf; https://discovery.ucl.ac.uk/id/eprint/10078038/
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16Academic Journal
المؤلفون: Logsdail, AJ, Downing, CA, Keal, TW, Sherwood, P, Sokol, AA, Catlow, CRA
المصدر: Journal of Physical Chemistry C (2019) (In press).
وصف الملف: text
Relation: https://discovery.ucl.ac.uk/id/eprint/10065214/1/acs.jpcc.8b07846.pdf; https://discovery.ucl.ac.uk/id/eprint/10065214/
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17Academic Journal
المؤلفون: Lu, Y, Farrow, MR, Fayon, P, Logsdail, AJ, Sokol, AA, Catlow, CRA, Sherwood, P, Keal, TW
المصدر: Journal of Chemical Theory and Computation (2018) (In press).
وصف الملف: text
Relation: https://discovery.ucl.ac.uk/id/eprint/10066543/1/acs.jctc.8b01036.pdf; https://discovery.ucl.ac.uk/id/eprint/10066543/
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18Academic Journal
المؤلفون: Buckeridge, J, Catlow, CRA, Farrow, MR, Logsdail, AJ, Scanlon, DO, Keal, TW, Sherwood, P, Woodley, SM, Sokol, AA, Walsh, A
المصدر: Physical Review Materials , 2 (5) , Article 054604. (2018)
وصف الملف: text
Relation: https://discovery.ucl.ac.uk/id/eprint/10053088/1/PhysRevMaterials.2.054604.pdf; https://discovery.ucl.ac.uk/id/eprint/10053088/
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19Academic Journal
المصدر: Applied Physics Letters , 112 , Article 262104. (2018)
مصطلحات موضوعية: Science & Technology, Physical Sciences, Physics, Applied, VAPOR-PHASE-EPITAXY, YELLOW LUMINESCENCE, ELECTRONIC-STRUCTURE, DOMINANT ACCEPTOR, POINT-DEFECTS, BASIS-SETS, PHOTOLUMINESCENCE, POTENTIALS, MECHANISM, PACKAGE
وصف الملف: text
Relation: https://discovery.ucl.ac.uk/id/eprint/10052708/1/1.5026751.pdf; https://discovery.ucl.ac.uk/id/eprint/10052708/
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20Academic Journal
المؤلفون: Xie, Z, Sui, Y, Buckeridge, J, Catlow, CRA, Keal, TW, Sherwood, P, Walsh, A, Scanlon, DO, Woodley, SM, Sokol, AA
المصدر: physica status solidi (a) , 214 (4) , Article 1600445. (2017)
مصطلحات موضوعية: Science & Technology, Technology, Physical Sciences, Materials Science, Multidisciplinary, Physics, Applied, Condensed Matter, cluster calculations, doping, GaN, n-type semiconductors, oxygen, silicon, LEVEL TRANSIENT SPECTROSCOPY, GALLIUM-NITRIDE, DEEP LEVELS, ION-IMPLANTATION, POINT-DEFECTS, BASIS-SETS, AB-INITIO, ALN, POTENTIALS, LUMINESCENCE
وصف الملف: text
Relation: https://discovery.ucl.ac.uk/id/eprint/1546002/1/Buckeridge_pssa_gan_si_o_final_accepted.pdf; https://discovery.ucl.ac.uk/id/eprint/1546002/
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