Greg P Shields
Greg P Shields
Software Engineer, Cambridge Crystallographic Data Centre (CCDC)
Verified email at ccdc.cam.ac.uk
Title
Cited by
Cited by
Year
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
63252006
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
8612004
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
6352020
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
3661999
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
3532016
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
1451999
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
1062000
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
1012000
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
941997
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
741998
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
622000
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
492000
J. Chem. Soc. Dalton Trans.
JE Davies, MC Klunduk, MJ Mays, PR Raithby, GP Shields, PK Tompkin
451997
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
412001
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
332006
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
322005
Implications of molecular and materials structure for new technologies
JAK Howard, FH Allen, GP Shields
Springer Science & Business Media, 2012
252012
Conformational analysis of macrocyclic ether ligands. I. 1, 4, 7, 10-tetraoxacyclododecane and 1, 4, 7, 10-tetrathiacyclododecane
PR Raithby, GP Shields, FH Allen
Acta Crystallographica Section B: Structural Science 53 (2), 241-251, 1997
241997
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
192000
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
182011
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