Our main interest is in the relationship between the structure and properties of solids. We study the geometric reasons for the chemical activity of solids and the relationship between local order and physical properties, using mathematical techniques and computer graphics. We use solid-state nuclear magnetic resonance spectroscopy (NMR) to examine molecular sieves, minerals, layered materials, fullerenes, ceramics and biological materials.

The G minimal surface divides space into two interpenetrating labyrinths (coloured red and green).

Specific projects:

  • Periodic minimal surfaces (surfaces with zero mean curvature), which appear in a variety of inorganic, organic and biological structures, and the associated mathematical problems.
  • Morphogenesis (the origin of shape and form).
  • Systematic enumeration of crystalline networks using mathematical tiling theory.
  • Graphite, graphite oxide and graphene.
  • Synthesis and characterization of microporous and mesoporous molecular sieves.
  • Synthesis and characterization of metal-organic frameworks (MOFs).

Selected Publications

Hypothetical zeolitic frameworks: In search of potential heterogeneous catalysts. J. Phys. Chem. 112, 1040 (2008)

Low-temperature thermal decomposition of large single crystals of ammonium perchlorate. Chem. Phys. Lett. 454, 233 (2008)

Simulating self-assembly of ZnS nanoparticles into mesoporous materials. J. Am. Chem. Soc. 128, 15283 (2006)

Cross-polarization in the solid state. A guide for chemists. Chem. Rev. 102, 613 (2002)

Synthesis and characterization of a new layered compound of trimesic acid. New Journal of Chemistry 26, 381 (2002)

Exact computation of the triply periodic G ('gyroid") minimal surface. Chem. Phys. Lett. 321, 363 (2000)

Systematic enumeration of crystalline networks. Nature 400, 644 (1999)

Structural studies of tabasheer, an opal of plant origin. Phil. Mag. A 77, 201 (1998)

Structure of graphite oxide revisited. J. Phys. Chem. B102, 4477 (1998)

Solid-state NMR studies of fullerene C60/benzene solvates. J. Phys. Chem. B101, 117 (1997)

New rapidly convergent series representations for z (2 n + 1). Proc. Am. Math. Soc. 125, 1263 (1997)

Directing the pore dimensions in the mesoporous molecular sieve MCM-41. Chem. Phys. Lett. 263, 247 (1996)

Taboo Search: an approach to the multiple-minima problem. Science, 267, 664 (1995)

Publications

Characterization of local atomic environment and quantitative determination of changes in site occupancies during the formation of ordered synthetic cordierite by 29 Si and 27 Al magic-angle spinning n.m.r. spectroscopy
CA Fyfe, GC Gobbi, J Klinowski, A Putnis, JM Thomas
Journal of the Chemical Society Chemical Communications
(1983)
New approaches to the structural characterization of zeolites. Part I. Magic-angle-spinning NMR (MAS-NMR)
JM Thomas, J Klinowski, CA Fyfe, GC Gobbi, S Ramdas, MW Anderson
ACS Symposium Series
(1983)
218
A re-examination of Si, Al ordering in zeolites NaX and NaY
J Klinowski, S Ramdas, JM Thomas, CA Fyfe, JS Hartman
J CHEM SOC FARAD T 2
(1982)
78
Problems associated with the micropolarographic measurement of the arterial wall pO2
J Klinowski, SE Korsner, CP Winlove
Cardiovascular research
(1982)
16
Analytical chemical applications of high-resolution nuclear magnetic resonance spectroscopy of solids
CA Fyfe, L Bemi, R Childs, HC Clark, D Curtin, J Davies, D Drexler, TR Dudley, GC Gobbi, JS Hartman, P Hayes, J Klinowski, RE Lenkinski, CJL Lock, IC Paul, A Rudin, W Tchir, JM Thomas, RE Wasylishen
Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences
(1982)
305
Resolving crystallographically distinct tetrahedral sites in silicalite and ZSM-5 by solid-state NMR
CA Fyfe, GC Gobbi, J Klinowski, JM Thomas, S Ramdas
Nature
(1982)
296
Monitoring of structural changes accompanying ultrastabilization of faujasitic zeolite catalysts
J Klinowski, JM Thomas, CA Fyfe, GC Gobbi
Nature
(1982)
296
Surprises in the structural chemistry of zeolites
JM Thomas, S Ramdas, GR Millward, J Klinowski, M Audier, J Gonzalez-Calbet, CA Fyfe
Journal of Solid State Chemistry
(1982)
45
High-resolution solid-state NMR studies of aluminosilicates
JM Klinowski, JM Thomas, S Ramdas, CA Fyfe, GC Gobbi
Adsorption of Hydrocarbons on Microporous Adsorbents
(1982)
2 (Supplement)
Transport of radioactive oxygen, nitrogen and xenon into the rabbit thoracic aorta in situ
J Davis, J Klinowski, CP Winlove
Cardiovascular Research
(1981)
15

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