Date Item Type No Grouping

Drowning in Diversity? A systematic way of clustering a representative set of new psychoactive substances. (2017) Mire Zloh, Eleftherios Samaras, Jesus Calvo-Castro, Amira Guirguis, Jacqueline Stair and Stewart Kirton

Characterisation of chemical composition and structural features of novel antimicrobial nanoparticles. (2017) Guogang Ren, Jesus Calvo-Castro, Lena Ciric, Mohan Edirisinghe, Elaine Cloutman-Green, Upulitha Eranka Illangakoon, Qiang Kang, Suntharavathanan Mahalingam, Rupy Kaur Matharu, Rory M Wilson and Yuen Ki Cheong

Exploring structure based charge transport relationships in phenyl diketopyrrolopyrrole single crystals using a 2D π–π dimer model system. (2017) Jesus Calvo-Castro and Callum J. McHugh

Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles. (2016) Jesus Calvo-Castro, Callum J. McHugh, Alan R. Kennedy, Graeme Morris, Sebastian Maczka and Connor Thomson

Fluorine Directed Two-Dimensional Cruciform π−π Stacking in Diketopyrrolopyrroles. (2016) Jesus Calvo-Castro, Callum J. McHugh, Graeme Morris and Alan R. Kennedy

Effects of fluorine substitution on the intermolecular interactions, energetics and packing behaviour of N-benzyl substituted diketopyrrolopyrroles. (2016) Jesus Calvo-Castro, Graeme Morris, Alan R. Kennedy and Callum J. McHugh

Impact of substituent effects on the Raman spectra of structurally related N-substituted diketopyrrolopyrroles. (2016) Jesus Calvo-Castro, Monika Warzecha, Andrew J. McLean and Callum J. McHugh

Intermolecular interactions and energetics in the crystalline π–π stacks and associated model dimer systems of asymmetric halogenated diketopyrrolopyrroles. (2016) Jesus Calvo-Castro, Monika Warzecha, I.D.H. Oswald, Alan R. Kennedy, Graeme Morris, Andrew J. McLean and Callum J. McHugh

Torsional angle dependence and switching of inner sphere reorganisation energies for electron and hole charge transfer processes involving phenyl substituted diketopyrrolopyrroles; a density functional study. (2015) Jesus Calvo-Castro, Callum J. McHugh and Andrew J. McLean

Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films exploring the role of structural order and morphology on thin film properties and fluorescence quenching efficiency. (2015) Monika Warzecha, Jesus Calvo-Castro, Alan R. Kennedy, Alisdair N. Macpherson, Kenneth Shankland, Norman Shankland, Andrew J. McLean and Callum J. McHugh

Impact of systematic structural variation on the energetics of π−π stacking interactions and associated computed charge transfer integrals of crystalline diketopyrrolopyrroles. (2014) Jesus Calvo-Castro, Monika Warzecha, Alan R. Kennedy, Callum J. McHugh and Andrew J. McLean