| Halogen bonding properties of 4-iodopyrazole and 4-bromopyrazole explored by rotational spectroscopy and ab initio calculations G Cooper, C Medcraft, JD Littlefair, TJ Penfold, NR Walker The Journal of Chemical Physics 147 (21), 2017 | 12 | 2017 |
| Mechanism of water intrusion into flexible ZIF-8: Liquid is not vapor E Amayuelas, M Tortora, L Bartolomé, JD Littlefair, G Paulo, A Le Donne, ... Nano Letters 23 (12), 5430-5436, 2023 | 8 | 2023 |
| On assessing functional errors in density functional theory using atomisation energies and electric field gradients JD Littlefair, DJ Cole, TJ Penfold International Journal of Quantum Chemistry 121 (23), e26799, 2021 | 1 | 2021 |
| Hydrophobicity of molecular-scale textured surfaces: The case of zeolitic imidazolate frameworks, an atomistic perspective A Le Donne, JD Littlefair, M Tortora, S Merchiori, L Bartolomé, Y Grosu, ... The Journal of Chemical Physics 159 (18), 2023 | | 2023 |
| The Accuracy of Electron Density from Theory: Calculating Electric Field Gradients and X-ray Scattering for Molecules and Solutions J Littlefair Newcastle University, 2021 | | 2021 |
| Halogen bonding properties of 4-iodopyrazole and 4-bromopyrazole characterised by rotational spectroscopy and ab initio calculations GA Cooper, C Medcraft, JD Littlefair, TJ Penfold, NR Walker Journal of Chemical Physics, 2017 | | 2017 |
| Structural insights into decomposition mechanisms of selected porous materials used for molecular springs M Pająk, E Amayuelas, L Bartolomé, L Johnson, JD Littlefair, ... | | |
| Molecular Geometries and Hyperfine Interactions of 4-Iodopyrazole and 4-Bromopyrazole Characterised by Rotational Spectroscopy and Ab Initio Calculations GA Cooper, C Medcraft, JD Littlefair, TJ Penfold, NR Walker | | |
