المؤلفون: Lejaeghere, K, Bihlmayer, G, Björkman, T, Blaha, P, Blügel, S, Blum, V, Caliste, D, Castelli, IE, Clark, SJ, Dal Corso, A, De Gironcoli, S, Deutsch, T, Dewhurst, JK, Di Marco, I, Draxl, C, Dułak, M, Eriksson, O, Flores-Livas, JA, Garrity, KF, Genovese, L, Giannozzi, P, Giantomassi, M, Goedecker, S, Gonze, X, Grånäs, O, Gross, EKU, Gulans, A, Gygi, F, Hamann, DR, Hasnip, PJ, Holzwarth, NAW, Iuşan, D, Jochym, DB, Jollet, F, Jones, D, Kresse, G, Koepernik, K, Küçükbenli, E, Kvashnin, YO, Locht, ILM, Lubeck, S, Marsman, M, Marzari, N, Nitzsche, U, Nordström, L, Ozaki, T, Paulatto, L, Pickard, CJ, Poelmans, W, Probert, MIJ, Refson, K, Richter, M, Rignanese, G-M, Saha, S, Scheffler, M, Schlipf, M, Schwarz, K, Sharma, S, Tavazza, F, Thunström, P, Tkatchenko, A, Torrent, M, Vanderbilt, D, Van Setten, MJ, Van Speybroeck, V, Wills, JM, Yates, JR, Zhang, G-X, Cottenier, S

Relation: https://ora.ox.ac.uk/objects/uuid:91992619-cc18-40c3-a35a-7c69b0b6ce36; https://doi.org/10.1126/science.aad3000

الاتاحة: https://doi.org/10.1126/science.aad3000
https://ora.ox.ac.uk/objects/uuid:91992619-cc18-40c3-a35a-7c69b0b6ce36

المؤلفون: Binck, J, Bayarjargal, L, Lobanov, SS, Morgenroth, W, Luchitskaia, R, Pickard, CJ, Milman, V, Refson, K, Jochym, DB, Byrne, P, Winkler, B

مصطلحات موضوعية: 3403 Macromolecular and Materials Chemistry, 34 Chemical Sciences, 40 Engineering, 51 Physical Sciences, 4016 Materials Engineering, 5104 Condensed Matter Physics

وصف الملف: application/pdf

Relation: https://www.repository.cam.ac.uk/handle/1810/305759

الاتاحة: https://www.repository.cam.ac.uk/handle/1810/305759
https://doi.org/10.17863/CAM.52838

المؤلفون: Binck J, Bayarjargal L, Lobanov SS, Morgenroth W, Luchitskaia R, Pickard CJ, Milman V, Refson K, Jochym DB, Byrne P, Winkler B

Relation: urn:ISSN:2475-9953; Phys Rev Materials; http://purl.org/net/epubs/series/36701209; Science and Technology Facilities Council (2007- ); ISIS (1984- ); Scientific Computing (2012- ); ISIS - General; http://purl.org/net/epubs/work/46311889

الاتاحة: http://purl.org/net/epubs/work/46311889

المؤلفون: Arhangelskis, M, Jochym, DB, Bernasconi, L, Friscic, T, Morris, AJ, Jones, W

مصطلحات موضوعية: fluorescence, TD-DFT, cocrystals, plane waves, First principles spectroscopy

وصف الملف: The .cell, .param and .castep files can be read using any text editor. The *.cif files can be opened using a variety of codes for crystal structure visualisation, e. g. freeware version of Mercury by CCDC: https://www.ccdc.cam.ac.uk/support-and-resources/Downloads/; application/octet-stream

Relation: https://doi.org/10.1021/acs.jpca.8b03481; https://www.repository.cam.ac.uk/handle/1810/293746

الاتاحة: https://doi.org/10.17863/CAM.11545
https://www.repository.cam.ac.uk/handle/1810/293746

المؤلفون: Sturniolo S, Liborio L, Pratt FL, Cottrell SP, Jochym DB, Montanari B

Relation: urn:ISSN:0031-9015; J Phys Soc Jpn; http://purl.org/net/epubs/series/1622; ISIS (1984- ); ISIS - Muons; Science and Technology Facilities Council (2007- ); ISIS - HIFI; http://purl.org/net/epubs/work/37165671

الاتاحة: http://purl.org/net/epubs/work/37165671

المؤلفون: Arhangelskis M, Jochym DB, Bernasconi L, Friščić T, Morris AJ, Jones W

Relation: urn:ISSN:1520-5215; J Phys Chem A; http://purl.org/net/epubs/series/2024; Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/39583246

الاتاحة: http://purl.org/net/epubs/work/39583246

المؤلفون: Mukhopadhyay S, Gutmann MJ, Jimenez-Ruiz M, Jochym DB, Wikfeldt KT, Refson K, Fernandez-Alonso F

Relation: urn:ISSN:1463-9076; Phys Chem Chem Phys; http://purl.org/net/epubs/series/1193; ISIS (1984- ); Science and Technology Facilities Council (2007- ); http://purl.org/net/epubs/work/35547101

الاتاحة: http://purl.org/net/epubs/work/35547101

المؤلفون: Lejaeghere K, Bihlmayer G, Bjorkman T, Blaha P, Blugel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, Du ak M, Eriksson O, Flores-Livas JA, Garrity KF, Genovese L, Giannozzi P, Giantomassi M, Goedecker S, Gonze X, Granas O, Gross EKU, Gulans A, Gygi F, Hamann DR, Hasnip PJ, Holzwarth NAW, Iu an D, Jochym DB, Jollet F, Jones D, Kresse G, Koepernik K, Kucukbenli E, Kvashnin YO, Locht ILM, Lubeck S, Marsman M, Marzari N, Nitzsche U, Nordstrom L, Ozaki T, Paulatto L, Pickard CJ, Poelmans W, Probert MIJ, Refson K, Richter M, Rignanese G, Saha S, Scheffler M, Schlipf M, Schwarz K, Sharma S, Tavazza F, Thunstrom P, Tkatchenko A, Torrent M, Vanderbilt D, van Setten MJ, Van Speybroeck V, Wills JM, Yates JR, Zhang G, Cottenier S

Relation: urn:ISSN:0036-8075; Science; http://purl.org/net/epubs/series/1252; ISIS (1984- ); Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/24802597

الاتاحة: http://purl.org/net/epubs/work/24802597

المؤلفون: Abou-Chahine, F, Abril Pla, Oriol, Armstrong, Jeffery, Barnes, Peter, Bernasconi, Leonardo, Collier, P, Davidson, Alisha, Dawidowski, Javier, Demmel, F, Dervin, D, Druzbicki, Kacper, Dymkowski, Krzysztof, Fernandez-Alonso, F, Ferguson, M, Fletcher, Sara, Gaboardi, Mattia, Garcia-Sakai, V, Gebbia, Jonathan, Goodway, CM, Gonzalez, MA, Hitchcock, Iain, Jochym, DB, Jones, Zoe, Kill, Stephen, King, P J C, Klug, J, Krzystyniak, Maciej, Llopis Vidal, B, Marques, Maria Paula, McCann, Louise, Michaelides, A, Moyano, MS, Moreno, D, Mukhopadhyay, Sanghamitra, O'Malley, Alex, Parker, S F, Parsons, J, Pinna, Roberto, Piovano, A, Refson, K, Roberts, Emma, Romanelli, Giovanni, Rudic, Svemir, Ryder, M, Salzmann, C G, Scott, D J, Seddon, K R, Senesi, R, Seydel, T, Silverwood, Ian, Song, F, Stenning, Gavin, Taylor, James, Tian, M, Valsecchi, G, Vazquez-Fernandez, I, Yang, Z, York, Andrew, Zeller, D

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b9c4d7e88950a84fa5ee400910253a12

المؤلفون: Corbett, Greg, Kermode, J, Jochym, DB, Refson, K

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f258f97b6d92667abafd19602c500938

المؤلفون: Fernandez-Alonso F, Gutmann MJ, Mukhopadhyay S, Jochym DB, Refson K, Jura M, Krzystyniak M, Jiménez-Ruiz M, Wagner A

Relation: urn:ISSN:0031-9015; J Phys Soc Jpn; http://purl.org/net/epubs/series/1622; ISIS (1984- ); Science and Technology Facilities Council (2007- ); Scientific Computing (2012- ); http://purl.org/net/epubs/work/12309257

الاتاحة: http://purl.org/net/epubs/work/12309257

المؤلفون: Apperley DC, Batsanov AS, Clark SJ, Harris RK, Hodgkinson P, Jochym DB

مصطلحات موضوعية: X-ray diffraction, Materials, Physics, Chemistry, Pharmaceutical compound, NMR crystallography, Solvates, Shielding computations, Solid-state NMR

Relation: urn:ISSN:0022-2860; J Mol Struct; http://purl.org/net/epubs/series/1575; Computational Science and Engineering ( -2012); CSE - Computational Materials Science Group; Science and Technology Facilities Council (2007- ); http://purl.org/net/epubs/work/61532

الاتاحة: http://purl.org/net/epubs/work/61532