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Rebecca K. Hylton
Researcher at University College London
Publications - 4
Citations - 528
Rebecca K. Hylton is an academic researcher from University College London. The author has contributed to research in topics: Enantiopure drug & Thermochemistry. The author has an hindex of 3, co-authored 4 publications receiving 419 citations. Previous affiliations of Rebecca K. Hylton include Max Planck Society.
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Journal ArticleDOI
Report on the sixth blind test of organic crystal-structure prediction methods
Anthony M. Reilly,Richard I. Cooper,Claire S. Adjiman,Saswata Bhattacharya,A. Daniel Boese,Jan Gerit Brandenburg,Peter J. Bygrave,Rita Bylsma,J.E. Campbell,Roberto Car,David H. Case,Renu Chadha,Jason C. Cole,Katherine Cosburn,Katherine Cosburn,Herma M. Cuppen,Farren Curtis,Farren Curtis,Graeme M. Day,Robert A. DiStasio,Robert A. DiStasio,Alexander Dzyabchenko,Bouke P. van Eijck,Dennis M. Elking,Joost A. van den Ende,Julio C. Facelli,Marta B. Ferraro,Laszlo Fusti-Molnar,Christina-Anna Gatsiou,Thomas S. Gee,René de Gelder,Luca M. Ghiringhelli,Hitoshi Goto,Stefan Grimme,Rui Guo,D. W. M. Hofmann,Johannes Hoja,Rebecca K. Hylton,Luca Iuzzolino,Wojciech Jankiewicz,Daniël T. de Jong,John Kendrick,Niek J. J. de Klerk,Hsin-Yu Ko,L. N. Kuleshova,Xiayue Li,Xiayue Li,Sanjaya Lohani,Frank J. J. Leusen,Albert M. Lund,Albert M. Lund,Jian Lv,Yanming Ma,Noa Marom,Noa Marom,Artëm E. Masunov,Patrick McCabe,David P. McMahon,Hugo Meekes,Michael P. Metz,Alston J. Misquitta,Sharmarke Mohamed,Bartomeu Monserrat,Richard J. Needs,Marcus A. Neumann,Jonas Nyman,Shigeaki Obata,Harald Oberhofer,Artem R. Oganov,Anita M. Orendt,Gabriel Ignacio Pagola,Constantinos C. Pantelides,Chris J. Pickard,Chris J. Pickard,Rafał Podeszwa,Louise S. Price,Sarah L. Price,Angeles Pulido,Murray G. Read,Karsten Reuter,Elia Schneider,Christoph Schober,Gregory P. Shields,Pawanpreet Singh,Isaac J. Sugden,Krzysztof Szalewicz,Christopher R. Taylor,Alexandre Tkatchenko,Alexandre Tkatchenko,Mark E. Tuckerman,Mark E. Tuckerman,Mark E. Tuckerman,Francesca Vacarro,Francesca Vacarro,Manolis Vasileiadis,Álvaro Vázquez-Mayagoitia,Leslie Vogt,Yanchao Wang,Rona E. Watson,Gilles A. de Wijs,Jack Yang,Qiang Zhu,Colin R. Groom +102 more
TL;DR: The results of the sixth blind test of organic crystal structure prediction methods are presented and discussed, highlighting progress for salts, hydrates and bulky flexible molecules, as well as on-going challenges.
Journal ArticleDOI
Are the Crystal Structures of Enantiopure and Racemic Mandelic Acids Determined by Kinetics or Thermodynamics
Rebecca K. Hylton,Graham J. Tizzard,Terence L. Threlfall,A. L. Ellis,Simon J. Coles,Colin C. Seaton,Eric Schulze,Heike Lorenz,Andreas Seidel-Morgenstern,Andreas Seidel-Morgenstern,Matthias Stein,Sarah L. Price +11 more
TL;DR: The observed crystallization behavior of mandelic acids does not correspond to any simple "crystal engineering rules" as there is a range of thermodynamically feasible structures with no distinction between the enantiopure and racemic forms.
Journal ArticleDOI
Thermochemistry of Racemic and Enantiopure Organic Crystals for Predicting Enantiomer Separation
Hannes Konrad Buchholz,Rebecca K. Hylton,Rebecca K. Hylton,Jan Gerit Brandenburg,Andreas Seidel-Morgenstern,Andreas Seidel-Morgenstern,Heike Lorenz,Matthias Stein,Sarah L. Price +8 more
TL;DR: In this paper, the thermodynamic difference between the two crystal forms is accessible by two cycles which give the eutectic composition in solution, and the sublimation cycle requires calculating the lattice energy and phonon frequencies of the crystal structures.
Journal ArticleDOI
Correction to Thermochemistry of Racemic and Enantiopure Organic Crystals for Predicting Enantiomer Separation
Hannes Konrad Buchholz,Rebecca K. Hylton,Jan Gerit Brandenburg,Andreas Seidel-Morgenstern,Heike Lorenz,Matthias Stein,Sarah L. Price +6 more
TL;DR: In this paper, the thermodynamic difference between the two crystal forms is accessible by two cycles which give the eutectic composition in solution, the sublimation cycle requires calculating the lattice energy and phonon frequencies of the crystal structures.