Professor Chris Gilmore
- Honorary Senior Research Fellow (School of Chemistry)
email:
Chris.Gilmore@glasgow.ac.uk
RA525 Level A5, Chemistry, Joseph Black Building, Glasgow G12 8QQ
Publications
2011
Dorset, D.L. and Gilmore, C.J. (2011) Ab initio electron diffraction structure analysis of zeolites – direct methods determination of NaY. Zeitschrift für Kristallographie, 226(5), pp. 447-453. (doi: 10.1524/zkri.2011.1366)
2010
Collins, A., Wilson, C.C. and Gilmore, C.J. (2010) Can cluster analysis assist crystal structure prediction? Intermolecular interactions between carboxylates, pyridine and pyrimidine heterocycles. CrystEngComm, 12(3), pp. 810-816. (doi: 10.1039/b914850g)
Collins, A., Wilson, C.C. and Gilmore, C.J. (2010) Comparing entire crystal structures using cluster analysis and fingerprint plots. CrystEngComm, 12(3), pp. 801-809. (doi: 10.1039/b914683k)
2009
Collins, A., Wilson, C.C. and Gilmore, C.J. (2009) Cluster analysis of metal-organic fragments using the dSNAP software. Acta Crystallographica. Section B: Structural Science, 65(6), pp. 707-714. (doi: 10.1107/S0108768109038051)
Barr, G., Cunningham, G., Dong, W., Gilmore, C. J. and Kojima, T. (2009) High-throughput powder diffraction V: the use of Raman spectroscopy with and without X-ray powder diffraction data. Journal of Applied Crystallography, 42, pp. 706-714. (doi: 10.1107/S0021889809022924)
Barr, G., Dong, W. and Gilmore, C. J. (2009) PolySNAP3: a computer program for analysing and visualizing high-throughput data from diffraction and spectroscopic sources. Journal of Applied Crystallography, 42, pp. 965-974. (doi: 10.1107/S0021889809025746)
2008
Collins, A., Parkin, A., Barr, G., Dong, W., Gilmore, C. J. and Wilson, C. C. (2008) Configurational and conformational classification of pyranose sugars. Acta Crystallographica. Section B: Structural Science, 64, pp. 57-65. (doi: 10.1107/S0108768107067341)
Dong, W., Gilmore, C., Barr, G., Dallman, C., Feeder, N. and Terry, S. (2008) A quick method for the quantitative analysis of mixtures. 1. Powder X-ray diffraction. Journal of Pharmaceutical Sciences, 97(6), pp. 2260-2276. (doi: 10.1002/jps.21142)
Dorset, D. L., Strohmaier, K. G., Kliewer, C. E., Corma, A., Diaz-Cabanas, M. J., Rey, F. and Gilmore, C. J. (2008) Crystal Structure of ITQ-26, a 3D Framework with Extra-Large Pores. Chemistry of Materials, 20(16), pp. 5325-5331. (doi: 10.1021/cm801126t)
Gilmore, C. J., Dong, W. and Dorset, D. L. (2008) Solving the crystal structures of zeolites using electron diffraction data. I. The use of potential-density histograms. Acta Crystallographica. Section A: Foundations of Crystallography, 64, pp. 284-294. (doi: 10.1107/S010876730705862X)
Gilmore, C. J., Dong, W. and Dorset, D. L. (2008) Solving the crystal structures of zeolites using electron diffraction data. II. Density-building functions. Acta Crystallographica. Section A: Foundations of Crystallography, 64, pp. 295-302. (doi: 10.1107/S0108767307058631)
Parkin, A., Collins, A., Gilmore, C. J. and Wilson, C. C. (2008) Using small molecule crystal structure data to obtain information about sulfonamide conformation. Acta Crystallographica. Section B: Structural Science, 64(1), pp. 66-71. (doi: 10.1107/S0108768107065895)
Parkin, A., Gilmore, C.J. and Wilson, C.C. (2008) What is a co-crystal - and does it matter? Zeitschrift für Kristallographie, 223(6), p. 430. (doi: 10.1524/zkri.2008.0044)
2007
Collins, A., Parkin, A., Barr, G., Dong, W., Gilmore, C. J. and Wilson, C. C. (2007) Identifying structural motifs in intermolecular contacts using cluster analysis - Part 2. Interactions of carboxylic acids with secondary amides. CrystEngComm, 9(3), pp. 245-253. (doi: 10.1039/b615269d)
Barr, G., Dong, W., Gilmore, C.J., Kern, A., Parkin, A. and Wilson, C.C. (2007) Using the Cambridge Structural Database to validate powder structures. Zeitschrift für Kristallographie, 1(Suppl.), pp. 209-214.
Collins, A., Barr, G., Dong, W., Gilmore, C., Middlemiss, D., Parkin, A. and Wilson, C. (2007) The application of cluster analysis to identify conformational preferences in enones and enimines from crystal structural data. Acta Crystallographica. Section B: Structural Science, 63, pp. 469-476. (doi: 10.1107/S0108768107006969)
Dorset, D., Gilmore, C., Jorda, J. and Nicolopoulos, S. (2007) Direct electron crystallographic determination of zeolite zonal structures. Ultramicroscopy, 107, pp. 462-473. (doi: 10.1016/j.ultramic.2006.05.013)
Parkin, A., Barr, G., Collins, A., Dong, W., Gilmore, C., Tasker, P. and Wilson, C. (2007) Using cluster analysis to study transition-metal geometries: four-coordinate complexes with two salicylaldiminato or related ligands. Acta Crystallographica. Section B: Structural Science, 63, pp. 612-620. (doi: 10.1107/S0108768107022969)
Parkin, A., Barr, G., Dong, W., Gilmore, C.J., Jayatilaka, D., McKinnon, J.J., Spackman, M.A. and Wilson, C.C. (2007) Comparing entire crystal structures: structural genetic fingerprinting. CrystEngComm, 9, pp. 648-652. (doi: 10.1039/b704177b)
2006
Parkin, A., Barr, G., Dong, W., Gilmore, C.J. and Wilson, C. (2006) Identifying structural motifs in inter-molecular contacts using cluster analysis - Part 1. Interactions of carboxylic acids with primary amides and with other carboxylic acid groups. CrystEngComm, 8, pp. 257-264. (doi: 10.1039/b517620d)
2005
Dorset, D.L., Roth, W.J. and Gilmore, C.J. (2005) Electron crystallography of zeolites - the MWW family as a test of direct 3D structure determination. Acta Crystallographica. Section A: Foundations of Crystallography, 61, pp. 516-527. (doi: 10.1107/S0108767305024670)
2004
Barr, G., Dong, W., Gilmore, C. and Faber, J. (2004) High-throughput powder diffraction. III. The application of full-profile pattern matching and multivariate statistical analysis to round-robin-type data sets. Journal of Applied Crystallography, 37, pp. 635-642. (doi: 10.1107/S0021889804013743)
Barr, G., Dong, W. and Gilmore, C. (2004) High-throughput powder diffraction. II. Applications of clustering methods and multivariate data analysis. Journal of Applied Crystallography, 37, pp. 243-252. (doi: 10.1107/S0021889804000391)
Barr, G., Dong, W. and Gilmore, C. (2004) High-throughput powder diffraction. IV. Cluster validation using silhouettes and fuzzy clustering. Journal of Applied Crystallography, 37, pp. 874-882. (doi: 10.1107/S0021889804020990)
Barr, G., Dong, W. and Gilmore, C. (2004) PolySNAP: a computer program for analysing high-throughput powder diffraction data. Journal of Applied Crystallography, 37, pp. 658-664. (doi: 10.1107/S0021889804011173)
Barr, G., Gilmore, C. and Paisley, J. (2004) SNAP-1D: a computer program for qualitative and quantitative powder diffraction pattern analysis using the full pattern profile. Journal of Applied Crystallography, 37, pp. 665-668. (doi: 10.1107/S0021889804011847)
Gilmore, C., Barr, G. and Paisley, J. (2004) High-throughput powder diffraction. I. A new approach to qualitative and quantitative powder diffraction pattern analysis using full pattern profiles. Journal of Applied Crystallography, 37, pp. 231-242. (doi: 10.1107/S002188980400038X)
Articles
Dorset, D.L. and Gilmore, C.J. (2011) Ab initio electron diffraction structure analysis of zeolites – direct methods determination of NaY. Zeitschrift für Kristallographie, 226(5), pp. 447-453. (doi: 10.1524/zkri.2011.1366)
Collins, A., Wilson, C.C. and Gilmore, C.J. (2010) Can cluster analysis assist crystal structure prediction? Intermolecular interactions between carboxylates, pyridine and pyrimidine heterocycles. CrystEngComm, 12(3), pp. 810-816. (doi: 10.1039/b914850g)
Collins, A., Wilson, C.C. and Gilmore, C.J. (2010) Comparing entire crystal structures using cluster analysis and fingerprint plots. CrystEngComm, 12(3), pp. 801-809. (doi: 10.1039/b914683k)
Collins, A., Wilson, C.C. and Gilmore, C.J. (2009) Cluster analysis of metal-organic fragments using the dSNAP software. Acta Crystallographica. Section B: Structural Science, 65(6), pp. 707-714. (doi: 10.1107/S0108768109038051)
Barr, G., Cunningham, G., Dong, W., Gilmore, C. J. and Kojima, T. (2009) High-throughput powder diffraction V: the use of Raman spectroscopy with and without X-ray powder diffraction data. Journal of Applied Crystallography, 42, pp. 706-714. (doi: 10.1107/S0021889809022924)
Barr, G., Dong, W. and Gilmore, C. J. (2009) PolySNAP3: a computer program for analysing and visualizing high-throughput data from diffraction and spectroscopic sources. Journal of Applied Crystallography, 42, pp. 965-974. (doi: 10.1107/S0021889809025746)
Collins, A., Parkin, A., Barr, G., Dong, W., Gilmore, C. J. and Wilson, C. C. (2008) Configurational and conformational classification of pyranose sugars. Acta Crystallographica. Section B: Structural Science, 64, pp. 57-65. (doi: 10.1107/S0108768107067341)
Dong, W., Gilmore, C., Barr, G., Dallman, C., Feeder, N. and Terry, S. (2008) A quick method for the quantitative analysis of mixtures. 1. Powder X-ray diffraction. Journal of Pharmaceutical Sciences, 97(6), pp. 2260-2276. (doi: 10.1002/jps.21142)
Dorset, D. L., Strohmaier, K. G., Kliewer, C. E., Corma, A., Diaz-Cabanas, M. J., Rey, F. and Gilmore, C. J. (2008) Crystal Structure of ITQ-26, a 3D Framework with Extra-Large Pores. Chemistry of Materials, 20(16), pp. 5325-5331. (doi: 10.1021/cm801126t)
Gilmore, C. J., Dong, W. and Dorset, D. L. (2008) Solving the crystal structures of zeolites using electron diffraction data. I. The use of potential-density histograms. Acta Crystallographica. Section A: Foundations of Crystallography, 64, pp. 284-294. (doi: 10.1107/S010876730705862X)
Gilmore, C. J., Dong, W. and Dorset, D. L. (2008) Solving the crystal structures of zeolites using electron diffraction data. II. Density-building functions. Acta Crystallographica. Section A: Foundations of Crystallography, 64, pp. 295-302. (doi: 10.1107/S0108767307058631)
Parkin, A., Collins, A., Gilmore, C. J. and Wilson, C. C. (2008) Using small molecule crystal structure data to obtain information about sulfonamide conformation. Acta Crystallographica. Section B: Structural Science, 64(1), pp. 66-71. (doi: 10.1107/S0108768107065895)
Parkin, A., Gilmore, C.J. and Wilson, C.C. (2008) What is a co-crystal - and does it matter? Zeitschrift für Kristallographie, 223(6), p. 430. (doi: 10.1524/zkri.2008.0044)
Collins, A., Parkin, A., Barr, G., Dong, W., Gilmore, C. J. and Wilson, C. C. (2007) Identifying structural motifs in intermolecular contacts using cluster analysis - Part 2. Interactions of carboxylic acids with secondary amides. CrystEngComm, 9(3), pp. 245-253. (doi: 10.1039/b615269d)
Barr, G., Dong, W., Gilmore, C.J., Kern, A., Parkin, A. and Wilson, C.C. (2007) Using the Cambridge Structural Database to validate powder structures. Zeitschrift für Kristallographie, 1(Suppl.), pp. 209-214.
Collins, A., Barr, G., Dong, W., Gilmore, C., Middlemiss, D., Parkin, A. and Wilson, C. (2007) The application of cluster analysis to identify conformational preferences in enones and enimines from crystal structural data. Acta Crystallographica. Section B: Structural Science, 63, pp. 469-476. (doi: 10.1107/S0108768107006969)
Dorset, D., Gilmore, C., Jorda, J. and Nicolopoulos, S. (2007) Direct electron crystallographic determination of zeolite zonal structures. Ultramicroscopy, 107, pp. 462-473. (doi: 10.1016/j.ultramic.2006.05.013)
Parkin, A., Barr, G., Collins, A., Dong, W., Gilmore, C., Tasker, P. and Wilson, C. (2007) Using cluster analysis to study transition-metal geometries: four-coordinate complexes with two salicylaldiminato or related ligands. Acta Crystallographica. Section B: Structural Science, 63, pp. 612-620. (doi: 10.1107/S0108768107022969)
Parkin, A., Barr, G., Dong, W., Gilmore, C.J., Jayatilaka, D., McKinnon, J.J., Spackman, M.A. and Wilson, C.C. (2007) Comparing entire crystal structures: structural genetic fingerprinting. CrystEngComm, 9, pp. 648-652. (doi: 10.1039/b704177b)
Parkin, A., Barr, G., Dong, W., Gilmore, C.J. and Wilson, C. (2006) Identifying structural motifs in inter-molecular contacts using cluster analysis - Part 1. Interactions of carboxylic acids with primary amides and with other carboxylic acid groups. CrystEngComm, 8, pp. 257-264. (doi: 10.1039/b517620d)
Dorset, D.L., Roth, W.J. and Gilmore, C.J. (2005) Electron crystallography of zeolites - the MWW family as a test of direct 3D structure determination. Acta Crystallographica. Section A: Foundations of Crystallography, 61, pp. 516-527. (doi: 10.1107/S0108767305024670)
Barr, G., Dong, W., Gilmore, C. and Faber, J. (2004) High-throughput powder diffraction. III. The application of full-profile pattern matching and multivariate statistical analysis to round-robin-type data sets. Journal of Applied Crystallography, 37, pp. 635-642. (doi: 10.1107/S0021889804013743)
Barr, G., Dong, W. and Gilmore, C. (2004) High-throughput powder diffraction. II. Applications of clustering methods and multivariate data analysis. Journal of Applied Crystallography, 37, pp. 243-252. (doi: 10.1107/S0021889804000391)
Barr, G., Dong, W. and Gilmore, C. (2004) High-throughput powder diffraction. IV. Cluster validation using silhouettes and fuzzy clustering. Journal of Applied Crystallography, 37, pp. 874-882. (doi: 10.1107/S0021889804020990)
Barr, G., Dong, W. and Gilmore, C. (2004) PolySNAP: a computer program for analysing high-throughput powder diffraction data. Journal of Applied Crystallography, 37, pp. 658-664. (doi: 10.1107/S0021889804011173)
Barr, G., Gilmore, C. and Paisley, J. (2004) SNAP-1D: a computer program for qualitative and quantitative powder diffraction pattern analysis using the full pattern profile. Journal of Applied Crystallography, 37, pp. 665-668. (doi: 10.1107/S0021889804011847)
Gilmore, C., Barr, G. and Paisley, J. (2004) High-throughput powder diffraction. I. A new approach to qualitative and quantitative powder diffraction pattern analysis using full pattern profiles. Journal of Applied Crystallography, 37, pp. 231-242. (doi: 10.1107/S002188980400038X)