| Mercury: visualization and analysis of crystal structures CF Macrae, PR Edgington, P McCabe, E Pidcock, GP Shields, R Taylor, ... Journal of applied crystallography 39 (3), 453-457, 2006 | 7657 | 2006 |
| Mercury 4.0: from visualization to analysis, design and prediction CF Macrae, I Sovago, SJ Cottrell, PTA Galek, P McCabe, E Pidcock, ... Journal of applied crystallography 53 (1), 226-235, 2020 | 3007 | 2020 |
| CIF applications. XV. enCIFer: a program for viewing, editing and visualizing CIFs FH Allen, O Johnson, GP Shields, BR Smith, M Towler Journal of applied crystallography 37 (2), 335-338, 2004 | 962 | 2004 |
| Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 577 | 2016 |
| Systematic analysis of the probabilities of formation of bimolecular hydrogen-bonded ring motifs in organic crystal structures FH Allen, WDS Motherwell, PR Raithby, GP Shields, R Taylor New Journal of Chemistry 23 (1), 25-34, 1999 | 400 | 1999 |
| Visualization and characterization of non-covalent networks in molecular crystals: Automated assignment of graph-set descriptors for asymmetric molecules WDS Motherwell, GP Shields, FH Allen Acta Crystallographica Section B: Structural Science 55 (6), 1044-1056, 1999 | 156 | 1999 |
| The assignment and validation of metal oxidation states in the Cambridge Structural Database GP Shields, PR Raithby, FH Allen, WDS Motherwell Acta Crystallographica Section B: Structural Science 56 (3), 455-465, 2000 | 149 | 2000 |
| Intramolecular hydrogen bonds: common motifs, probabilities of formation and implications for supramolecular organization C Bilton, FH Allen, GP Shields, JAK Howard Acta Crystallographica Section B: Structural Science 56 (5), 849-856, 2000 | 108 | 2000 |
| Synthesis and characterisation of new acetylide-functionalised oligothiophenes and their dinuclear platinum complexes J Lewis, NJ Long, PR Raithby, GP Shields, WY Wong, M Younus Journal of the Chemical Society, Dalton Transactions, 4283-4288, 1997 | 98 | 1997 |
| Probabilities of formation of bimolecular cyclic hydrogen-bonded motifs in organic crystal structures: a systematic database analysis FH Allen, GP Shields, R Taylor, PR Raithby Chemical Communications, 1043-1044, 1998 | 73 | 1998 |
| Automated assignment of graph-set descriptors for crystallographically symmetric molecules WDS Motherwell, GP Shields, FH Allen Acta Crystallographica Section B: Structural Science 56 (3), 466-473, 2000 | 69 | 2000 |
| Structure correlation study of four-coordinate copper (I) and (II) complexes PR Raithby, GP Shields, FH Allen, WDS Motherwell Acta Crystallographica Section B: Structural Science 56 (3), 444-454, 2000 | 58 | 2000 |
| Crystal engineering and chloro-methyl interchange—A CSD analysis MR Edwards, W Jones, WDS Motherwell, GP Shields Molecular Crystals and Liquid Crystals Science and Technology. Section A …, 2001 | 49 | 2001 |
| J. Chem. Soc. Dalton Trans. JE Davies, MC Klunduk, MJ Mays, PR Raithby, GP Shields, PK Tompkin | 48 | 1997 |
| Implications of molecular and materials structure for new technologies JAK Howard, FH Allen, GP Shields Springer Science & Business Media, 2012 | 40 | 2012 |
| Carbonyl⋯ carbonyl interactions in first-row transition metal complexes HA Sparkes, PR Raithby, E Clot, GP Shields, JA Chisholm, FH Allen CrystEngComm 8 (7), 563-570, 2006 | 36 | 2006 |
| Data mining of iron (II) and iron (III) bond-valence parameters, and their relevance for macromolecular crystallography H Zheng, KM Langner, GP Shields, J Hou, M Kowiel, FH Allen, ... Acta Crystallographica Section D: Structural Biology 73 (4), 316-325, 2017 | 35 | 2017 |
| New light on the mechanism of the solid state [2+ 2] cycloaddition of alkenes: a database analysis FH Allen, MF Mahon, PR Raithby, GP Shields, HA Sparkes New Journal of Chemistry 29 (1), 182-187, 2005 | 35 | 2005 |
| Deducing chemical structure from crystallographically determined atomic coordinates IJ Bruno, GP Shields, R Taylor Acta Crystallographica Section B: Structural Science 67 (4), 333-349, 2011 | 27 | 2011 |
| Graph-set and packing analysis of hydrogen-bonded networks in polyamide structures in the Cambridge Structural Database WDS Motherwell, GP Shields, FH Allen Acta Crystallographica Section B: Structural Science 56 (5), 857-871, 2000 | 27 | 2000 |
