| Impact of Systematic Structural Variation on the Energetics of π–π Stacking Interactions and Associated Computed Charge Transfer Integrals of Crystalline Diketopyrrolopyrroles J Calvo-Castro, M Warzecha, AR Kennedy, CJ McHugh, AJ McLean Crystal Growth & Design 14 (9), 4849-4858, 2014 | 34 | 2014 |
| Modifying the properties of thermogelling poloxamer 407 solutions through covalent modification and the use of polymer additives MA Abou‐Shamat, J Calvo‐Castro, JL Stair, MT Cook Macromolecular Chemistry and Physics 220 (16), 1900173, 2019 | 33 | 2019 |
| Effects of fluorine substitution on the intermolecular interactions, energetics, and packing behavior of N-benzyl substituted diketopyrrolopyrroles J Calvo-Castro, G Morris, AR Kennedy, CJ McHugh Crystal Growth & Design 16 (4), 2371-2384, 2016 | 28 | 2016 |
| Detection of nitroaromatic vapours with diketopyrrolopyrrole thin films: exploring the role of structural order and morphology on thin film properties and fluorescence … M Warzecha, J Calvo-Castro, AR Kennedy, AN Macpherson, K Shankland, ... Chemical Communications 51 (6), 1143-1146, 2015 | 27 | 2015 |
| Detection of newly emerging psychoactive substances using Raman spectroscopy and chemometrics J Calvo-Castro, A Guirguis, EG Samaras, M Zloh, SB Kirton, JL Stair RSC advances 8 (56), 31924-31933, 2018 | 23 | 2018 |
| Fluorine Directed Two-Dimensional Cruciform π–π Stacking in Diketopyrrolopyrroles J Calvo-Castro, G Morris, AR Kennedy, CJ McHugh Crystal Growth & Design 16 (9), 5385-5393, 2016 | 23 | 2016 |
| Intermolecular interactions and energetics in the crystalline π–π stacks and associated model dimer systems of asymmetric halogenated diketopyrrolopyrroles J Calvo-Castro, M Warzecha, IDH Oswald, AR Kennedy, G Morris, ... Crystal Growth & Design 16 (3), 1531-1542, 2016 | 22 | 2016 |
| Torsional angle dependence and switching of inner sphere reorganisation energies for electron and hole transfer processes involving phenyl substituted diketopyrrolopyrroles; a … J Calvo-Castro, CJ McHugh, AJ McLean Dyes and Pigments 113, 609-617, 2015 | 22 | 2015 |
| Characterisation of the chemical composition and structural features of novel antimicrobial nanoparticles YK Cheong, J Calvo-Castro, L Ciric, M Edirisinghe, E Cloutman-Green, ... Nanomaterials 7 (7), 152, 2017 | 18 | 2017 |
| Development of a neutral diketopyrrolopyrrole phosphine oxide for the selective bioimaging of mitochondria at the nanomolar level TF Abelha, G Morris, SM Lima, LHC Andrade, AJ McLean, C Alexander, ... Chemistry–A European Journal 26 (14), 3173-3180, 2020 | 15 | 2020 |
| Exploring structure based charge transport relationships in phenyl diketopyrrolopyrrole single crystals using a 2D π–π dimer model system J Calvo-Castro, CJ McHugh Journal of Materials Chemistry C 5 (16), 3993-3998, 2017 | 14 | 2017 |
| Impact of substituent effects on the Raman spectra of structurally related N-substituted diketopyrrolopyrroles J Calvo-Castro, M Warzecha, AJ McLean, CJ McHugh Vibrational Spectroscopy 83, 8-16, 2016 | 11 | 2016 |
| Twist and shout: a surprising synergy between aryl and N-substituents defines the computed charge transport properties in a series of crystalline diketopyrrolopyrroles J Calvo-Castro, S Maczka, C Thomson, G Morris, AR Kennedy, ... CrystEngComm 18 (48), 9382-9390, 2016 | 11 | 2016 |
| True absolute determination of photoluminescence quantum yields by coupling multiwavelength thermal lens and photoluminescence spectroscopy TO Pereira, M Warzecha, LHC Andrade, JR Silva, ML Baesso, ... Physical Chemistry Chemical Physics 22 (43), 25156-25164, 2020 | 10 | 2020 |
| A Design-of-Experiments approach to developing thermoresponsive gelators from complex polymer mixtures MA Abou-Shamat, JL Stair, SB Kirton, J Calvo-Castro, MT Cook Molecular Systems Design & Engineering 5 (9), 1538-1546, 2020 | 6 | 2020 |
| Understanding the contribution of individual amino acid residues in the binding of psychoactive substances to monoamine transporters T Senior, MJ Botha, AR Kennedy, J Calvo-Castro ACS omega 5 (28), 17223-17231, 2020 | 5 | 2020 |
| Role of H-Optimization in the Computed Intermolecular Interactions and Charge-Transfer Integrals in Diketopyrrolopyrroles J Calvo-Castro, AR Kennedy, CJ McHugh The Journal of Physical Chemistry A 123 (14), 3185-3193, 2019 | 5 | 2019 |
| A 2-D π–π dimer model system to investigate structure-charge transfer relationships in rubrene SJ Chung, CJ McHugh, J Calvo-Castro Journal of Materials Chemistry C 7 (7), 2029-2036, 2019 | 4 | 2019 |
| Raman spectroscopy coupled to computational approaches towards understanding self-assembly in thermoreversible poloxamer gels MT Cook, MA Abou-Shamat, JL Stair, J Calvo-Castro Journal of Molecular Liquids 351, 118660, 2022 | 3 | 2022 |
| Mitochondrial Targeting and Imaging with Small Organic Conjugated Fluorophores: A Review H Crawford, M Dimitriadi, J Bassin, MT Cook, TF Abelha, J Calvo‐Castro Chemistry–A European Journal 28 (72), e202202366, 2022 | 2 | 2022 |
Monika WarzechaVertex PharmaceuticalsVerified email at strath.ac.uk
