R.J. Lancashire

B.Sc.(Hons.), Ph.D. Monash
Professor Emeritus of Computational Chemistry

ORCID: 0000 0002 6780 3903
robert.lancashire@uwimona.edu.jm

Tel: (876) 9706026, Campus Ext: 8707

 R.J.Lancashire
Teaching and Research Interests:
1. Developer of the original Open Source project JSpecView for the display of spectroscopic data. Now merged as part of JSmol.
2. Webmaster of the (now legacy) Department of Chemistry website where I made extensive use of JSmol and JSpecView to highlight areas of general interest such as: the development of informative web articles on the chemistry of Jamaican fruits, vegetables and spices, the prospects of teaching chemistry via the World Wide Web, multimedia computer applications in chemistry, use of JCAMP-DX file formats on the Web.
3. Microwave Oven Reaction Enhanced (MORE) Chemistry.
4. Development of FAIR Spectrocopy Data Management procedures and their use for creating FAIR data collections.
5. The History of the Chemistry Department at UWI, Mona, Jamaica. Published in 2010 with Professor Emeritus Kenneth E Magnus and available from Amazon.
6. Biography of Professor Gerald C, Lalor OM, OJ, CD, FCAS, FIJ, FJIM. Published as "From logwood to SLOWPOKE" with Conrad G.C. Douglas in 2019
7. The History of the Turner Family of Clarendon. Edward Turner was the first Professor of Chemistry at the University of London (1827-1837) and a younger brother Wilton George Turner obtained a PhD in chemistry from Justus von Liebig at Geissen in 1838.
8. The History of the Blyth Family of Westmoreland. John Buddle Blyth was the first Prof of Chemistry at Queen's College, Cork, Ireland. Blyth translated many of von Liebig's notes on Agriculture.
Associations
Member of the Royal Society of Chemistry, since 1977, now Emeritus
Member of the American Chemical Society, since 1979, now Emeritus
Member of IUPAC, since 1989, Fellow from 2016
Past Member of the IUPAC Committee on Publications and Cheminformatics Data Standards and the Subcommittee on Cheminformatics Data Standards (SCDS) (formerly SEDS and JCAMP-DX), 1995-2015.
Member of the IUPAC Project group on "Development of a Standard for FAIR Data Management of Spectroscopic Data"
Past IUPAC representative to the ICSU Committee on Data for Science and Technology (CODATA)
Past Member of the CODATA task group on "Preservation of and Access to Scientific and Technical Data in Developing Countries"
Fellow of the Caribbean Academy of Sciences (CAS).
Web maintainer and designer for the www.caswi.org.jm web site.
Some Selected Publications:
-R.J. Lancashire and C.W. Ingram, "On the formation of C3 hydrocarbons during the conversion of ethanol using HZSM-5 catalyst." Catalysis Letters, 31(4), 395-403, 1995.
-R.J. Lancashire and P.B.Reese. "Microwave Oven Reaction Enhanced (MORE) preparation of stilbenediamines". Electronic Conference on Trends in Organic Chemistry (ECTOC-1), Eds. H.S. Rzepa and J. G. Goodman (CD-ROM), Royal Society of Chemistry publications, 1995. See a copy here or the other ECTOC papers held at Imperial College, London.
-A.N. Davies and R.J. Lancashire. "Setting up a chemically active Internet/Intranet web server". Spectroscopy Europe, 9(1), 30-32, 1997.
-R.J. Lancashire. "An introduction to data formats". Spectroscopy Europe, 9(2), 22-23, 1997.
-A.N. Davies and R.J. Lancashire. "Introducing the Working Party on Spectroscopic Data Standards (JCAMP-DX)". Chemistry International, 19(2), 39-41, 1997.
-A.N. Davies and R.J. Lancashire. "Using Chemistry properly on the Internet/Intranet" Internet J. Vib. Spect., 1(4), 57, 1997.
-A.N. Davies, J. Lambert, R.J. Lancashire and P. Lampen. "Reporting NMR pulse sequences", Spectroscopy Europe, 11(3), 18-20, 1999.
-P. Lampen, J. Lambert, R.J. Lancashire, R.S. McDonald, P. McIntyre, D.N. Rutledge, T. Frohlich and A.N. Davies. "An extension to the JCAMP-DX standard file format, JCAMP-DX V5.01", Pure and Applied Chemistry, 71(8), 1549-1556, 1999.
- P.M. Lahti, E.J. Motyka and R.J. Lancashire, "Interactive Visualization of Infrared Spectral Data: Synergy of Computation, Visualization, and Experiment for Learning Spectroscopy" J. Chem. Educ., 77, 649, 2000. [ ABSTRACT]
- R.J. Lancashire, "The use of the Internet for teaching chemistry" Anal. Chim. Acta, 420/2, 241-246, 2000.
-A.N. Davies, J. Lambert, R.J. Lancashire, P. Lampen with W. Conover, M. Frey, M. Grzonka, E. Williams, and D. Meinhart, "Guidelines for the Representation of Pulse Sequences for Solution-State Nuclear Magnetic Resonance Spectrometry (IUPAC Recommendations 2001)" Pure and Applied Chemistry, 73(11), 1749-1764, 2001
-M. Bakir, S. A. Clarke, I. Hassan, R. J. Lancashire and M. Singh-Wilmot, "trans-Bis(glycinato-κ2 N,O)copper(II) 4-bromophenol solvate" Acta Cryst. E60, m868-m870, 2004
-A.N. Davies, R.J. Lancashire and P. Lampen. "Embedding spectra and structures in your web pages", Spectroscopy Europe 17(5), 28-30, 2005.
-R.J. Lancashire and A.N. Davies. "Spectroscopic Data: The Quest for a Universal Format", Chemistry International 28(1), 10-12, January-February 2006
-R. Cammack, Y. Fann, R.J. Lancashire, J.P. Maher, P.S. McIntyre and R. Morse. "JCAMP-DX for Electron Magnetic Resonance (EMR), (IUPAC Recommendations 2006)" Pure and Applied Chemistry,78(03), 613-631, 2006
-S. Kuhn, T. Helmus, R.J. Lancashire, P. Murray-Rust, H.S. Rzepa, C. Steinbeck, and E.L. Willighagen "Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data" Journal of Chemical Information and Modeling, 47 (6), 2015 -2034, 2007. 10.1021/ci600531a S1549-9596(60)00531-7
-R.J. Lancashire. "The JSpecView Project: an Open Source Java viewer and converter for JCAMP-DX, and XML spectral data files", Chemistry Central Journal 2007, 1:31 (07Dec2007)
-R.J. Lancashire and C.A.D. Walters, "Colour prediction with JSpecView" The ChemSpider Journal of Chemistry, 2009
-J-C. Bradley, R.J. Lancashire, A.S.I.D. Lang and A.J. Williams, "The Spectral Game: leveraging Open Data and crowdsourcing for education" Journal of Cheminformatics 2009, 1:9 doi:10.1186/1758-2946-1-9
-A.N. Davies, R.M. Hanson and R.J. Lancashire. "Your committee needs you" Spectroscopy Europe 24(1), 22-23, 2012.
-R.J. Lancashire and A.N. Davies. "The ACS 2013 Symposium on exchangeable data formats." Spectroscopy Europe 25(5) 22-23, 26, 2013
-A. N. Davies, M. Cashyap, R.J. Lancashire and R. M. Hanson "A head in the clouds? -Part two: exploring distributed, multi-server 1H NMR prediction" Spectroscopy Europe 26(5) 15-17, 2014
-A.N. Davies and R.J. Lancashire, "Updating IUPAC spectroscopy recommendations and data standards" Spectroscopy Europe 28(5) 25-26, 2016
-A.N. Davies and R.J. Lancashire, "How standard are your standards?" Spectroscopy Europe 29(1) 16, 17, 25, 2017
-R.J. Lancashire, "Jamaican Chemists in Early Global Communication" Chemistry International 40(2), 5-11, 2018
-L. McEwen, D. Martinsen, R.J. Lancashire, P. Lampen and A.N. Davies, "Are your spectroscopic data FAIR?" Spectroscopy Europe 30(4) 21-24, 2018
-A.N. Davies, P. Lampen and R.J. Lancashire, "Are you taking your Metadata seriously?" Spectroscopy Europe 31(2) 17-23, 2019
-R.M. Hanson, D. Jeannerat, M. Archibald, I. Bruno, S. Chalk, A.N. Davies, R.J. Lancashire, J. Lang and H.S. Rzepa, "FAIR Enough?" Spectroscopy Europe 33(2) 25-31, 2021
-A.N. Davies, R.M. Hanson, P. Lampen, R.J. Lancashire "An overview of the JCAMP-DX format." Pure and Applied Chemistry,vol.94, no.6, 2022, pp.705-723.
-R.M. Hanson, D. Jeannerat, M. Archibald, I. Bruno, S. Chalk, A.N. Davies, R.J. Lancashire, J. Lang, H.S. Rzepa, "IUPAC specification for the FAIR management of spectroscopic data in chemistry (IUPAC FAIRSpec) - guiding principles." Pure and Applied Chemistry, vol. 94, no. 6, 2022, pp. 623-636.
-M. Archibald, I. Bruno, S. Chalk, A.N. Davies, R.M. Hanson, S. Kuhn, R.J. Lancashire, and H.S. Rzepa, "FAIRSpec-ready spectroscopic data collections - advice for researchers, authors, and data managers (IUPAC Technical Report)"
Home Ja themes Lab. Manuals Lectures Search Software Spectra Staff Tutorials UWI-Mona Home

Copyright © 1994-2022 by Robert John Lancashire, all rights reserved.

Created and maintained by Prof. Robert J. Lancashire,
The Department of Chemistry, University of the West Indies,
Mona Campus, Kingston 7, Jamaica.
Created Sept 1994. Links checked and/or last modified 7th October 2025.
URL: http://wwwchem.uwimona.edu.jm/chrl.html