All Stories

  1. AI4Good - The Ethical and Societal Implications of using AI in Scientific Discovery

    Article • July 2020, ACM (Association for Computing Machinery)

    Jeremy Frey, Samuel Munday

  2. A new wave of innovation in Semantic web tools for drug discovery

    Article • Expert Opinion on Drug Discovery, March 2019, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  3. Surface reconstruction amendment to the intrinsic sampling method

    Article • The Journal of Chemical Physics, December 2018, American Institute of Physics

    Jeremy Frey, Jeremy Frey

  4. Connecting Chemistry with Global Challenges through Data Standards

    Article • Chemistry International, May 2017, De Gruyter

    Jeremy Frey, Jeremy Frey

  5. Leveraging the Web

    Article • Chemistry International, May 2017, De Gruyter

    Jeremy Frey, Dr Simon J Coles

  6. Adding Chemistry Functionality to a Generic Open Source Electronic Lab Notebook (Labtrove)

    Article • Journal of Chemical Information and Computer Sciences, March 2015, American Chemical Society (ACS)

    Dr Antony John Williams, Dr Simon J Coles, Jeremy Frey, Jeremy Frey

  7. User-Defined Metadata: Using Cues and Changing Perspectives

    Article • International Journal of Digital Curation, February 2015, Edinburgh University Library

    Jeremy Frey, Jeremy Frey

  8. Experiences with a researcher-centric ELN

    Article • Chemical Science, January 2015, Royal Society of Chemistry

    Dr Simon J Coles, Jeremy Frey, Jeremy Frey

  9. What's in a Name? Quite a Lot, as it Happens!

    Article • Chemistry International, January 2015, De Gruyter

    Jeremy Frey, Jeremy Frey

  10. Creating Context for the Experiment Record. User-Defined Metadata: Investigations into Metadata Usage in the LabTrove ELN

    Article • Journal of Chemical Information and Computer Sciences, December 2014, American Chemical Society (ACS)

    Dr Simon J Coles, Jeremy Frey, Jeremy Frey

  11. Scientific and technical data sharing: a trading perspective

    Article • Journal of Computer-Aided Molecular Design, August 2014, Springer Science + Business Media

    Jeremy Frey, Jeremy Frey

  12. Usage and applications of Semantic Web techniques and technologies to support chemistry research

    Article • Journal of Cheminformatics, April 2014, Springer Science + Business Media

    Jeremy Frey, Jeremy Frey

  13. Monolayer detection of ion binding at a crown ether-functionalised supramolecular surface via an integrated optical Bragg grating

    Article • The Analyst, January 2014, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  14. Digital IUPAC

    Article • Chemistry International, January 2014, De Gruyter

    Jeremy Frey, Jeremy Frey

  15. Single Exposure Wavefront Curvature Estimation of High Harmonic Radiation by Diffraction from a Regular Array

    Article • January 2014, Optical Society of America (OSA)

    Jeremy Frey, Jeremy Frey

  16. First steps towards semantic descriptions of electronic laboratory notebook records

    Article • Journal of Cheminformatics, December 2013, Springer Science + Business Media

    Dr Simon J Coles, Jeremy Frey, Jeremy Frey

  17. LabTrove: A Lightweight, Web Based, Laboratory “Blog” as a Route towards a Marked Up Record of Work in a Bioscience Research Laboratory

    Article • PLoS ONE, July 2013, PLOS

    Jeremy Frey, Jeremy Frey

  18. Cheminformatics and the Semantic Web: adding value with linked data and enhanced provenance

    Article • Wiley Interdisciplinary Reviews Computational Molecular Science, January 2013, Wiley

    Jeremy Frey, Jeremy Frey

  19. Chemical information matters: an e-Research perspective on information and data sharing in the chemical sciences

    Article • Chemical Society Reviews, January 2013, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  20. Anion transport QSAR

    Article • Chemical Science, January 2013, Royal Society of Chemistry

    Professor Philip Gale, Jeremy Frey, Jeremy Frey

  21. Laboratory notebooks in the digital era: the role of ELNs in record keeping for chemistry and other sciences

    Article • Chemical Society Reviews, January 2013, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  22. Data Curation Issues in the Chemical Sciences

    Article • Information Standards Quarterly, January 2013, National Information Standards Organization (NISO)

    Dr Simon J Coles, Jeremy Frey, Jeremy Frey

  23. Smart Meeting Spaces for Knowledge Transfer

    Article • January 2013, Springer Science + Business Media

    Jeremy Frey, Jeremy Frey

  24. Smart Meetings: Experimenting with Space

    Article • January 2013, Springer Science + Business Media

    Jeremy Frey, Jeremy Frey

  25. Human Aspects of Smart Spaces for Knowledge Transfer

    Article • January 2013, Springer Science + Business Media

    Jeremy Frey, Jeremy Frey

  26. MyExperimentalScience, extending the ‘workflow’

    Article • Concurrency and Computation Practice and Experience, October 2012, Wiley

    Jeremy Frey, Jeremy Frey

  27. Spatiotemporal phase-matching in capillary high-harmonic generation

    Article • Journal of the Optical Society of America B, March 2012, Optical Society of America (OSA)

    Jeremy Frey, Jeremy Frey

  28. Few-cycle self-compression via multimode nonlinear optics in gas filled waveguides

    Article • January 2012, Optical Society of America (OSA)

    Jeremy Frey

  29. Web-based services for drug design and discovery

    Article • Expert Opinion on Drug Discovery, July 2011, Informa Healthcare

    Jeremy Frey, Jeremy Frey

  30. Gas jet structure influence on high harmonic generation

    Article • Optics Express, May 2011, Optical Society of America (OSA)

    Jeremy Frey, Jeremy Frey

  31. 90nm resolution reconstruction from a polychromatic signal using monochromatic phase retrieval techniques

    Article • May 2011, Institute of Electrical & Electronics Engineers (IEEE)

    Jeremy Frey, Jeremy Frey

  32. High-flux capillary based XUV source via the direct engineering of a laser induced ionization profile

    Article • May 2011, Institute of Electrical & Electronics Engineers (IEEE)

    Jeremy Frey, Jeremy Frey

  33. High intensity pulse self-compression in short hollow core capillaries

    Article • May 2011, Institute of Electrical & Electronics Engineers (IEEE)

    Jeremy Frey, Jeremy Frey

  34. Crown ethers at the aqueous solution–air interface. Part 2. Electrolyte effects, ethylene oxide hydration and temperature behaviour

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  35. Crown ethers at the aqueous solution–air interface: 1. Assignments and surface spectroscopy

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  36. A Semantic eScience Platform for Chemistry

    Article • December 2010, Institute of Electrical & Electronics Engineers (IEEE)

    Dr Simon J Coles, Jeremy Frey, Jeremy Frey

  37. Modal effects on pump-pulse propagation in an Ar-filled capillary

    Article • Optics Express, June 2010, Optical Society of America (OSA)

    Jeremy Frey, Jeremy Frey

  38. The value of the Semantic Web in the laboratory

    Article • Drug Discovery Today, June 2009, Elsevier

    Jeremy Frey, Jeremy Frey

  39. The smartLab: Experimental and environmental control and monitoring of the chemistry laboratory

    Article • January 2009, Institute of Electrical & Electronics Engineers (IEEE)

    Jeremy Frey, Jeremy Frey

  40. Simultaneous Measurement of Structure and XUV Dielectric Constant of Nanoscale Objects Using Diffraction of High Harmonic Radiation

    Article • January 2009, Optical Society of America (OSA)

    Jeremy Frey, Jeremy Frey

  41. Combining System Introspection with User-Provided Description to Support Configuration and Understanding of Pervasive systems

    Article • October 2008, Institute of Electrical & Electronics Engineers (IEEE)

    Jeremy Frey, Jeremy Frey

  42. Curation of Laboratory Experimental Data as Part of the Overall Data Lifecycle

    Article • International Journal of Digital Curation, August 2008, Edinburgh University Library

    Jeremy Frey, Jeremy Frey

  43. e-Malaria: the schools Malaria project

    Article • Concurrency and Computation Practice and Experience, January 2008, Wiley

    Jeremy Frey, Jeremy Frey

  44. Quantities, units and symbols in physical chemistry

    Article • August 2007, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  45. Mass transfer enhancement produced by laser induced cavitation

    Article • Electrochemistry Communications, October 2006, Elsevier

    Jeremy Frey, Jeremy Frey

  46. A Computer-Aided Drug Discovery System for Chemistry Teaching.

    Article • ChemInform, July 2006, Wiley

    Jeremy Frey, Jeremy Frey

  47. A Computer-Aided Drug Discovery System for Chemistry Teaching

    Article • Journal of Chemical Information and Computer Sciences, May 2006, American Chemical Society (ACS)

    Jeremy Frey, Jeremy Frey

  48. An E-Science Environment for Service Crystallographyfrom Submission to Dissemination

    Article • Journal of Chemical Information and Modeling, February 2006, American Chemical Society (ACS)

    Dr Simon J Coles, Jeremy Frey, Jeremy Frey

  49. CombeChem: A Case Study in Provenance and Annotation Using the Semantic Web

    Article • January 2006, Springer Science + Business Media

    Jeremy Frey, Jeremy Frey

  50. Soft-x-ray wavelength shift induced by ionization effects in a capillary

    Article • Optics Letters, January 2006, Optical Society of America (OSA)

    Jeremy Frey, Jeremy Frey

  51. ECSES – examining crystal structures using `e-science': a demonstrator employing web and grid services to enhance user participation in crystallographic experiments

    Article • Journal of Applied Crystallography, September 2005, International Union of Crystallography

    Dr Simon J Coles, Jeremy Frey, Jeremy Frey

  52. Grid computing and biomolecular simulation

    Article • Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences, August 2005, Royal Society Publishing

    Dr Christopher John Woods, Jeremy Frey, Jeremy Frey

  53. Grid-based dynamic electronic publication: a case study using combined experiment and simulation studies of crown ethers at the air/water interface

    Article • Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences, August 2005, Royal Society Publishing

    Jeremy Frey, Jeremy Frey

  54. Dark Lab or Smart Lab:  The Challenges for 21st Century Laboratory Software

    Article • Organic Process Research & Development, November 2004, American Chemical Society (ACS)

    Jeremy Frey, Jeremy Frey

  55. The semantic smart laboratory: a system for supporting the chemical eScientist

    Article • Organic & Biomolecular Chemistry, January 2004, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  56. Making tea

    Article • January 2004, ACM (Association for Computing Machinery)

    Jeremy Frey, Jeremy Frey

  57. Breaking the book

    Article • January 2004, ACM (Association for Computing Machinery)

    Jeremy Frey

  58. Second harmonic ellipsometry

    Article • Measurement Science and Technology, March 2003, Institute of Physics Publishing

    Jeremy Frey, Jeremy Frey

  59. Anion-directed assembly: the first fluoride-directed double helix

    Article • Chemical Communications, February 2003, Royal Society of Chemistry

    Professor Philip Gale, Dr Simon J Coles, Jeremy Frey, Jeremy Frey

  60. Which Sites React First? Functional Site Distribution and Kinetics on Solid Supports Investigated Using Confocal Raman and Fluorescence Microscopy

    Article • Journal of Combinatorial Chemistry, January 2003, American Chemical Society (ACS)

    Jeremy Frey, Jeremy Frey

  61. Enzyme Accessibility and Solid Supports: Which Molecular Weight Enzymes Can Be Used on Solid Supports? An Investigation Using Confocal Raman Microscopy

    Article • Chemistry - A European Journal, August 2002, Wiley

    Jeremy Frey, Jeremy Frey

  62. Synthesis of Guanidinium-Derived Receptor Libraries and Screening for Selective Peptide Receptors in Water

    Article • Chemistry - A European Journal, March 2002, Wiley

    Jeremy Frey, Jeremy Frey

  63. Synthesis, Conformational Studies and Binding Properties of Acyclic Receptors for N-Protected Amino Acids and Dipeptides

    Article • European Journal of Organic Chemistry, December 2001, Wiley

    Jeremy Frey, Jeremy Frey

  64. Enantioselective binding of dipeptides using acyclic receptors

    Article • Chemical Communications, January 2001, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  65. Interfacial second harmonic generation in the limit of weak orientational order: determining interfacial refractive index

    Article • Chemical Physics Letters, June 2000, Elsevier

    Jeremy Frey, Jeremy Frey

  66. Rayleigh Scattering of Laser and Synchrotron Radiation from Pulsed Free Jets of Ar n and (N 2 O) n Clusters

    Article • The Journal of Physical Chemistry A, August 1998, American Chemical Society (ACS)

    Jeremy Frey, Jeremy Frey

  67. Tagging in combinatorial chemistry: the use of coloured and fluorescent beads

    Article • Chemical Communications, January 1997, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  68. Investigation of transport across an immiscible liquid/liquid interface. Electrochemical and second harmonic generation studies

    Article • Journal of the Chemical Society Faraday Transactions, January 1996, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  69. Photodissociation of CS2 at 193 nm investigated by polarised photofragment translational spectroscopy

    Article • Chemical Physics, January 1996, Elsevier

    Jeremy Frey, Jeremy Frey

  70. Circular differential second harmonic generation: the air/water interface of aqueous tryptophan and boc-trp-trp

    Article • September 1995, SPIE

    Jeremy Frey, Jeremy Frey

  71. Second harmonic generation from the air/water interface of an aqueous solution of the dipeptide Boc-Trp-Trp

    Article • Chemical Physics Letters, November 1994, Elsevier

    Jeremy Frey, Jeremy Frey

  72. Photolysis of HOBr and DOBr at 266 nm: OH and OD product-state distributions

    Article • Journal of the Chemical Society Faraday Transactions, January 1994, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  73. Analysis of time-of-flight data constraints and error bars

    Article • Molecular Physics, August 1993, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  74. 266 nm Photolysis of HOCl and DOCl: laser-excitation fluorescence detection of OH and OD

    Article • Journal of the Chemical Society Faraday Transactions, January 1993, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  75. The analysis of anisotropic photodissociation time-of-flight data obtained from a rotating source machine

    Article • Molecular Physics, April 1992, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  76. Ab initio calculations on the ground and low-lying electronic states of the Cl3 radical: emission from Cl3

    Article • Chemical Physics Letters, February 1992, Elsevier

    Jeremy Frey, Jeremy Frey

  77. Second harmonic generation by p-nitrophenol at water/air and water/heptane interfaces

    Article • Journal of the Chemical Society Faraday Transactions, January 1992, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  78. The 248 nm photodissociation of DOCl: laser excitation fluorescence spectra of OD

    Article • Chemical Physics Letters, October 1991, Elsevier

    Jeremy Frey, Jeremy Frey

  79. Adiabatic and diabatic representations, coordinate and unitary transformations: coupled oscillators

    Article • Molecular Physics, October 1990, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  80. Isomerization of cis-stilbene in rare-gas clusters: direct measurements of trans-stilbene formation rates on a picosecond time scale

    Article • Journal of the Optical Society of America B, August 1990, Optical Society of America (OSA)

    Jeremy Frey, Jeremy Frey

  81. Three-particle hyperspherical coordinates: permutation-inversion symmetry properties

    Article • Molecular Physics, May 1990, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  82. Raman emission from the photolysis of NOCl at 266 nm

    Article • Molecular Physics, April 1990, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  83. Calculation of non-adiabatic matrix elements

    Article • Molecular Physics, March 1990, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  84. Photolysis of HOCl at 248 nm in a supersonic molecular beam: laser-induced fluorescence spectra of OH

    Article • Journal of the Chemical Society Faraday Transactions, January 1990, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  85. Raman spectra of NOCl and Cl2 photodissociation dynamics

    Article • Molecular Physics, June 1989, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  86. Adiabatic and diabatic approaches to bound state calculations

    Article • Molecular Physics, December 1988, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  87. Non-adiabatic corrections for coupled oscillators using Rayleigh-Schrödinger perturbation theory

    Article • Molecular Physics, June 1988, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  88. An accurate calculation of the ground state energy of the helium atom and the hydrogen negative ion using hyperspherical coordinates

    Article • Chemical Physics, January 1987, Elsevier

    Jeremy Frey, Jeremy Frey

  89. The adiabatic approach toe+2e-in the hyperspherical coordinates

    Article • Molecular Physics, January 1986, Taylor & Francis

    Jeremy Frey, Jeremy Frey

  90. The calculation of the ground state energy of weakly bound van der waals trimers using the method of hyperspherical harmonics.

    Article • Chemical Physics, November 1985, Elsevier

    Jeremy Frey, Jeremy Frey

  91. The calculation of the ground state energy of weakly bound van der waals trimers using the method of hyperspherical harmonics I. The Born—Oppenheimer and adiabatic approximations

    Article • Chemical Physics, November 1985, Elsevier

    Jeremy Frey, Jeremy Frey

  92. Infrared predissociation spectra of water dimer in a supersonic molecular beam

    Article • Chemical Physics Letters, May 1984, Elsevier

    Jeremy Frey, Jeremy Frey

  93. Excited vibrational states near dissociation in weakly bound triatomic systems

    Article • Chemical Physics Letters, December 1983, Elsevier

    Jeremy Frey, Jeremy Frey

  94. Thermal decomposition of 3-ethyl-3-methyloxetan and 3,3-diethyloxetan

    Article • Journal of the Chemical Society Faraday Transactions 1 Physical Chemistry in Condensed Phases, January 1975, Royal Society of Chemistry

    Jeremy Frey, Jeremy Frey

  95. Combinatorial Chemistry and the Grid

    Article • Wiley

    Jeremy Frey, Jeremy Frey

  96. Second Harmonic Generation at Liquid/Liquid Interfaces

    Article • Springer Science + Business Media

    Jeremy Frey, Jeremy Frey