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Number of items: 49.

Article

Justel, FJ, Camacho, DM, Taboada, ME et al. (1 more author) (2019) Crystallisation of copper sulphate pentahydrate from aqueous solution in absence and presence of sodium chloride. Journal of Crystal Growth, 525. 125204. ISSN 0022-0248

Kaskiewicz, PL orcid.org/0000-0001-6708-6687, Xu, G, Lai, X et al. (5 more authors) (2019) Isothermal by Design: An Accelerated Approach to the Prediction of the Crystallizability of Slowly Nucleating Systems. Organic Process Research and Development, 23 (9). pp. 1948-1959. ISSN 1083-6160

Bryant, MJ, Rosbottom, I, Bruno, IJ et al. (7 more authors) (2019) "Particle Informatics": Advancing Our Understanding of Particle Properties through Digital Design. Crystal Growth & Design, 19 (9). pp. 5258-5266. ISSN 1528-7483

Md Azmi, NS, Anuar, N orcid.org/0000-0003-4003-0194, Roberts, KJ orcid.org/0000-0002-1070-7435 et al. (2 more authors) (2019) Molecular Aggregation of L-isoleucine in Aqueous Solution and its Impact on the Determination of Solubility and Nucleation Kinetics. Journal of Crystal Growth, 519. pp. 91-99. ISSN 0022-0248

Geatches, D, Rosbottom, I, Marchese Robinson, RL orcid.org/0000-0001-7648-8645 et al. (6 more authors) (2019) Off-the-shelf DFT-DISPersion methods: Are they now "on-trend" for organic molecular crystals? Journal of Chemical Physics, 151 (4). 044106. ISSN 0021-9606

Ma, CY orcid.org/0000-0002-4576-7411 and Roberts, KJ orcid.org/0000-0002-1070-7435 (2019) Morphological population balance modelling of the effect of crystallisation environment on the evolution of crystal size and shape of para-aminobenzoic acid. Computers & Chemical Engineering, 126. pp. 356-370. ISSN 0098-1354

Jeraal, MI, Roberts, KJ, McRobbie, I et al. (1 more author) (2019) Assessment of the Thermal Degradation of Sodium Lauroyl Isethionate Using Predictive Isoconversional Kinetics and a Temperature-Resolved Analysis of Evolved Gases. Industrial and Engineering Chemistry Research, 58 (19). pp. 8112-8122. ISSN 0888-5885

Turner, TD orcid.org/0000-0003-3776-2044, Hatcher, LE, Wilson, CC et al. (1 more author) (2019) Habit Modification of the Active Pharmaceutical Ingredient Lovastatin Through a Predictive Solvent Selection Approach. Journal of Pharmaceutical Sciences, 108 (5). pp. 1779-1787. ISSN 0022-3549

Turner, TD orcid.org/0000-0003-3776-2044, Nguyen, TTH, Nicholson, P et al. (4 more authors) (2019) A temperature-controlled single-crystal growth cell for the in situ measurement and analysis of face-specific growth rates. Journal of Applied Crystallography, 52 (Part 2). pp. 463-467. ISSN 0021-8898

Rosbottom, I, Yong, CW, Geatches, DL et al. (3 more authors) (2019) The integrated DL_POLY/DL_FIELD/DL_ANALYSER software platform for molecular dynamics simulations for exploration of the synthonic interactions in saturated benzoic acid/hexane solutions. Molecular Simulation. ISSN 0892-7022

Rosbottom, I, Toroz, D, Hammond, RB et al. (1 more author) (2018) Conformational and structural stability of the single molecule and hydrogen bonded clusters of para aminobenzoic acid in the gas and solution phases. CrystEngComm, 20 (46). pp. 7543-7555. ISSN 1466-8033

Wang, C, Zhou, L, Zhang, X et al. (3 more authors) (2018) The Role of Solvent Composition and Polymorph Surface Chemistry in the Solution-Mediated Phase Transformation Process of Cefaclor. Industrial & Engineering Chemistry Research, 57 (49). pp. 16925-16933. ISSN 0888-5885

Ma, CY orcid.org/0000-0002-4576-7411 and Roberts, KJ orcid.org/0000-0002-1070-7435 (2018) Combining Morphological Population Balances with Face-Specific Growth Kinetics Data to Model and Predict the Crystallization Processes for Ibuprofen. Industrial and Engineering Chemistry Research, 57 (48). pp. 16379-16394. ISSN 0888-5885

Marchese Robinson, RL orcid.org/0000-0001-7648-8645, Roberts, KJ orcid.org/0000-0002-1070-7435 and Martin, EB (2018) The influence of solid state information and descriptor selection on statistical models of temperature dependent aqueous solubility. Journal of Cheminformatics, 10. 44.

Tang, X, Kaskiewicz, PL, Camacho Corzo, DM orcid.org/0000-0001-5330-4110 et al. (4 more authors) (2018) Solubility and crystallisability of the ternary system: Hexadecane and octadecane representative in fuel solvents. Fuel, 226. pp. 665-674. ISSN 0016-2361

Turner, TD orcid.org/0000-0003-3776-2044, Lai, X and Roberts, KJ orcid.org/0000-0002-1070-7435 (2018) The thermal expansion coefficients of the alpha and beta polymorphic forms of p-aminobenzoic acid in relation to their bulk crystal chemistry. CrystEngComm, 20 (29). pp. 4099-4102. ISSN 1466-8033

Tang, X, Kaskiewicz, PL orcid.org/0000-0001-6708-6687, Camacho Corzo, DM et al. (4 more authors) (2018) Data for crystallisation, dissolution and saturation temperatures of the ternary system: Hexadecane and octadecane representative in fuel solvents. Data in Brief, 19. pp. 1382-1392. ISSN 2352-3409

Lan, Z, Calligaris, GA, de Menezes, AS et al. (4 more authors) (2018) Characterization of the Structural Environment of Dithionate Ions Associated with Their Role in the Crystal Habit Modification of Sodium Chlorate. Crystal Growth & Design, 18 (6). pp. 3328-3338. ISSN 1528-7483

Rosbottom, I, Pickering, JH, Etbon, B et al. (2 more authors) (2018) Examination of inequivalent wetting on the crystal habit surfaces of RS-ibuprofen using grid-based molecular modelling. Physical Chemistry Chemical Physics, 20 (17). pp. 11622-11633. ISSN 1463-9076

Camacho Corzo, DM orcid.org/0000-0001-5330-4110, Roberts, KJ orcid.org/0000-0002-1070-7435, More, I et al. (1 more author) (2018) Solubility and Nucleation of Methyl Stearate as a Function of Crystallization Environment. Energy and Fuels, 32 (3). pp. 3447-3459. ISSN 0887-0624

Turner, TD orcid.org/0000-0003-3776-2044, Caddick, S, Hammond, RB et al. (2 more authors) (2018) Kinetics of the Aqueous-Ethanol Solution Mediated Transformation between the Beta and Alpha Polymorphs of p-Aminobenzoic Acid. CRYSTAL GROWTH & DESIGN, 18 (2). pp. 1117-1125. ISSN 1528-7483

Jeraal, MI, Roberts, KJ orcid.org/0000-0002-1070-7435, McRobbie, I et al. (1 more author) (2018) Process-Focused Synthesis, Crystallization, and Physicochemical Characterization of Sodium Lauroyl Isethionate. ACS Sustainable Chemistry and Engineering, 6 (2). pp. 2667-2675.

Rosbottom, I, Ma, CY orcid.org/0000-0002-4576-7411, Turner, T orcid.org/0000-0003-3776-2044 et al. (5 more authors) (2017) Influence of Solvent Composition on the Crystal Morphology and Structure of p-Aminobenzoic Acid Crystallised from Mixed Ethanol and Nitromethane Solutions. Crystal Growth & Design, 17 (8). pp. 4151-4161. ISSN 1528-7483

Nguyen, TTH, Rosbottom, I, Marziano, I et al. (2 more authors) (2017) Crystal Morphology and Interfacial Stability of RS -Ibuprofen in Relation to Its Molecular and Synthonic Structure. Crystal Growth & Design, 17 (6). pp. 3088-3099. ISSN 1528-7483

Moldovan, AA, Rosbottom, I, Ramachandran, V et al. (3 more authors) (2017) Crystallographic Structure, Intermolecular Packing Energetics, Crystal Morphology and Surface Chemistry of Salmeterol Xinafoate (Form I). Journal of Pharmaceutical Sciences, 106 (3). pp. 882-891. ISSN 0022-3549

Camacho, DM orcid.org/0000-0001-5330-4110, Roberts, KJ orcid.org/0000-0002-1070-7435, Muller, F orcid.org/0000-0002-8507-4193 et al. (3 more authors) (2017) Morphology and Growth of Methyl Stearate as a Function of Crystallization Environment. Crystal Growth and Design, 17 (2). pp. 563-575. ISSN 1528-7483

Turner, TD, Corzo, DM, Toroz, D et al. (5 more authors) (2016) The influence of solution environment on the nucleation kinetics and crystallisability of para-aminobenzoic acid. Physical Chemistry Chemical Physics, 18 (39). pp. 27507-27520. ISSN 1463-9076

Chauruka, SR, Hassanpour, A, Brydson, R et al. (3 more authors) (2015) Effect of mill type on the size reduction and phase transformation of gamma alumina. Chemical Engineering Science, 134. 774 - 783. ISSN 0009-2509

Rosbottom, I, Roberts, KJ orcid.org/0000-0002-1070-7435 and Docherty, R (2015) The solid state, surface and morphological properties of p-aminobenzoic acid in terms of the strength and directionality of its intermolecular synthons. CrystEngComm, 17 (30). pp. 5768-5788. ISSN 1466-8033

Toroz, D, Rosbottom, I, Turner, TD et al. (4 more authors) (2015) Towards an understanding of the nucleation of alpha-para amino benzoic acid from ethanolic solutions: A multi-scale approach. Faraday Discussions, 179. 79 - 114. ISSN 1359-6640

Camacho, DM, Roberts, KJ, Lewtas, K et al. (1 more author) (2015) The crystal morphology and growth rates of triclinic N-docosane crystallising from N-dodecane solutions. Journal of Crystal Growth, 416. 47 - 56. ISSN 0022-0248

Ramachandran, V, Murnane, D, Hammond, RB et al. (8 more authors) (2015) Formulation pre-screening of inhalation powders using computational atom-atom systematic search method. Molecular Pharmaceutics, 12 (1). 18 - 33. ISSN 1543-8384

Lan, Z, Lai, X, Roberts, KJ et al. (1 more author) (2014) X-ray Topographic and Polarized Optical Microscopy Studies of Inversion Twinning in Sodium Chlorate Single Crystals Grown in the Presence of Sodium Dithionate Impurities. Crystal Growth & Design, 14 (11). 6084 - 6092. ISSN 1528-7483

Kwokal, A and Roberts, KJ (2014) Direction of the polymorphic form of entacapone using an electrochemical tuneable surface template. CrystEngComm, 16 (17). 3487 - 3493. ISSN 1466-8033

Abd Rahim, S, Hammond, RB, Roberts, KJ orcid.org/0000-0002-1070-7435 et al. (1 more author) (2014) Measurements of carbamazepine-succinic acid (CBZ-SCA) co-crystal flowability. Australian Journal of Basic and Applied Sciences, 8 (4 - Special). pp. 788-792. ISSN 1991-8178

Nguyen, TTH, Hammond, RB, Roberts, KJ et al. (2 more authors) (2014) Precision measurement of the growth rate and mechanism of ibuprofen {001} and {011} as a function of crystallization environment. CrystEngComm, 16 (21). 4568 - 4586. ISSN 1466-8033

Toroz, D, Hammond, RB, Roberts, KJ et al. (2 more authors) (2014) Molecular dynamics simulations of organic crystal dissolution: The lifetime and stability of the polymorphic forms of para-amino benzoic acid in aqueous environment. Journal of Crystal Growth, 401. 38 - 43. ISSN 0022-0248

Coquerel, G and Roberts, KJ (2014) 10th International Workshop on the Crystal Growth of Organic Materials (CGOM10). Crystal Growth and Design, 6 (11 (Virtual Issue)). ISSN 1528-7483

Camacho Corzo, DM orcid.org/0000-0001-5330-4110, Borissova, A orcid.org/0000-0003-3169-1118, Hammond, RB et al. (4 more authors) (2014) Nucleation mechanism and kinetics from the analysis of polythermal crystallisation data: Methyl stearate from kerosene solutions. CrystEngComm, 16 (6). pp. 974-991. ISSN 1466-8033

Kwokal, A, Čavužić, D and Roberts, KJ (2013) Surface adsorbed templates for directing the crystal growth of entacapone as monitored using process analytical techniques. Crystal Growth and Design, 13 (12). 5324 - 5334. ISSN 1528-7483

Book Section

Rosbottom, I and Roberts, KJ orcid.org/0000-0002-1070-7435 (2017) Crystal growth and morphology of molecular crystals. In: Engineering Crystallography: From Molecule to Crystal to Functional Form. NATO Science for Peace and Security Series A: Chemistry and Biology, PartF1 . Springer , Dordrecht , pp. 109-131. ISBN 978-94-024-1115-7

Ramachandran, V, Halfpenny, PJ and Roberts, KJ orcid.org/0000-0002-1070-7435 (2017) Crystal science fundamentals. In: Engineering Crystallography: From Molecule to Crystal to Functional Form. NATO Science for Peace and Security Series A: Chemistry and Biology . Springer , Dordrecht , pp. 3-19. ISBN 978-94-024-1115-7

Camacho Corzo, DM, Ma, CY orcid.org/0000-0002-4576-7411, Ramachandran, V et al. (2 more authors) (2017) Crystallisation route map. In: NATO Science for Peace and Security Series A: Chemistry and Biology. NATO Science for Peace and Security Series A: Chemistry and Biology . Springer , Dordrecht , pp. 179-213. ISBN 978-94-024-1115-7

Turner, TD, Halfpenny, PJ and Roberts, KJ orcid.org/0000-0002-1070-7435 (2017) Pharmaceutical solid-state characterisation techniques. In: Engineering Crystallography: From Molecule to Crystal to Functional Form. NATO Science for Peace and Security Series A: Chemistry and Biology . Springer , Dordrecht , pp. 367-393. ISBN 978-94-024-1115-7

Pickering, J, Hammond, RB, Ramachandran, V et al. (2 more authors) (2017) Synthonic engineering modelling tools for product and process design. In: Engineering Crystallography: From Molecule to Crystal to Functional Form. NATO Science for Peace and Security Series A: Chemistry and Biology . Springer , Dordrecht , pp. 155-176. ISBN 978-94-024-1117-1

Conference or Workshop Item

Calligaris, GA, Lai, X, Roberts, KJ orcid.org/0000-0002-1070-7435 et al. (1 more author) (2017) Lattice strain analysis on habit-modified [S2O6]2−-doped NaBrO3 crystals. In: Abstracts of the XXIV IUCr Congress, 21-28 Aug 2017, Hyderabad, India.

Hammond, RB, Nguyen, TH, Pickering, J et al. (7 more authors) (2013) Applications of synthonic engineering tools in predicting crystal morphology as a function of the growth environments. In: ECM 28, 25-29 Aug 2013, Warwick, UK.

Proceedings Paper

Rosbottom, I, Ma, CY orcid.org/0000-0002-4576-7411, O'Connel, R et al. (2 more authors) (2017) The crystal morphology and growth kinetic mechanisms of para -aminobenzoic acid. In: Acta Crystallographica Section A Foundations and Advances. Twenty-Fourth Congress and General Assembly of the International Union of Crystallography, 21-28 Aug 2017, Hyderabad, India. , C349.

Murnane, D, Ramachandran, V, Hammond, RB et al. (8 more authors) (2016) Blending Pre-formulation Metrics with Molecular Calculations to Facilitate Aerosol Product Formulation. In: Respiratory Drug Delivery 2016. Respiratory Drug Delivery, 17-21 Apr 2016, Phoenix, Arizona. RDD , pp. 79-88.

This list was generated on Sun Oct 13 21:19:27 2019 BST.