1932

Abstract

I describe some of the science that I have been involved in during the last 60 years and the changes in equipment that made it possible. Starting with an interest in spectroscopy and measurement of NMR parameters, I moved to work on theoretical aspects of spin systems and infrared and Raman line shapes. This morphed into using the new technique of computer simulation to study such problems. The last half of my working life has concentrated on the application of computer simulation to a number of problems culminating in pioneering investigations of the behavior of ionic liquids.

Loading

Article metrics loading...

/content/journals/10.1146/annurev-physchem-090319-054423
2021-04-20
2024-06-24
Loading full text...

Full text loading...

/deliver/fulltext/physchem/72/1/annurev-physchem-090319-054423.html?itemId=/content/journals/10.1146/annurev-physchem-090319-054423&mimeType=html&fmt=ahah

Literature Cited

  1. 1. 
    Comm. High. Educ. 1963. Higher Education: Report of the Committee Appointed by the Prime Minister Under the Chairmanship of Lord Robbins, 1961–63 London: Her Majesty's Station. Off.
    [Google Scholar]
  2. 2. 
    Ramsey NF. 1953. Electron coupled interactions between nuclear spins in molecules. Phys. Rev. 91:303–7
    [Google Scholar]
  3. 3. 
    Abragam A. 1961. The Principles of Nuclear Magnetism Oxford, UK: Oxford Univ. Press
    [Google Scholar]
  4. 4. 
    Lynden-Bell RM. 1965. Relaxation and line widths in some NMR spectra. Proc. R. Soc. A 286:337–51
    [Google Scholar]
  5. 5. 
    Lynden-Bell RM, McDonald IR. 1981. Reorientational correlation functions of computer simulated liquids of tetrahedral molecules. Mol. Phys. 43:1429–40
    [Google Scholar]
  6. 6. 
    Lynden-Bell RM, Steele WA. 1984. A model for strongly hindered molecular reorientation in liquids. J. Phys. Chem. 88:6514–158
    [Google Scholar]
  7. 7. 
    Verlet L. 1964. Computer ``experiments'' on classical fluids. I. Thermodynamical properties of Lennard–Jones molecules. Phys. Rev. 159:98–103
    [Google Scholar]
  8. 8. 
    Alder BJ, Wainwright TE. 1959. Studies in molecular dynamics. I. General method. J. Chem. Phys. 31:459–66
    [Google Scholar]
  9. 9. 
    Gibson JB, Goland AN, Milgram M, Vineyard GH. 1960. Dynamics of radiation damage. Phys. Rev. 120:1229–52
    [Google Scholar]
  10. 10. 
    Lynden-Bell RM, McDonald IR, Klein ML. 1983. Analysis of translation-rotation coupling in an orientationally disordered ionic crystal. Mol. Phys. 48:1093–117
    [Google Scholar]
  11. 11. 
    Lynden-Bell RM, Impey RW, Klein ML. 1986. Investigation of the lattice vibrations of solid NaNO2 by means of molecular dynamics calculations. Chem. Phys. 109:25–33
    [Google Scholar]
  12. 12. 
    Lynden-Bell RM, Ferrario M, McDonald IR, Salje E. 1989. A molecular dynamics study of orientational disordering in crystalline sodium nitrate. J. Phys. Condens. Matter 1:6523–42
    [Google Scholar]
  13. 13. 
    Lynden-Bell RM, Rasaiah JC. 1997. From hydrophobic to hydrophilic behaviour: a simulation study of solvation entropy and free energy of simple solutes. J. Chem. Phys. 107:1981–91
    [Google Scholar]
  14. 14. 
    O'Shea SJ, Welland ME, Rayment T. 1992. Atomic force microscope study of boundary layer lubrication. Appl. Phys. Lett. 60:2356–58
    [Google Scholar]
  15. 15. 
    Gelb LD, Lynden-Bell RM. 1993. Force oscillations and liquid structure in simulations of an atomic force microscope tip in a liquid. Chem. Phys. Lett. 211:328–32
    [Google Scholar]
  16. 16. 
    Smith P, Lynden-Bell RM, Earnshaw JC, Smith W. 1999. Surface ordering in heptadecane: a simulation study. Mol. Phys. 96:249–57
    [Google Scholar]
  17. 17. 
    Hanke CG, Price SL, Lynden-Bell RM. 2001. Intermolecular potentials for simulations of liquid imidazolium salts. Mol. Phys. 99:801–9
    [Google Scholar]
  18. 18. 
    Margulis CJ, Stern HA, Berne BJ. 2002. Computer simulation of a ``green chemistry'' room-temperature ionic solvent. J. Phys. Chem. B 106:12017–21
    [Google Scholar]
  19. 19. 
    Morrow TE, Maginn EJ. 2002. Molecular dynamics study of the ionic liquid 1-n-butyl-3-methylimidazolium hexafluorophosphate. J. Phys. Chem. B 106:12807–13
    [Google Scholar]
  20. 20. 
    de Andrade J, Böes ES, Stassen H. 2002. Computational study of room temperature molten salts composed by 1-alkyl-3-methylimidazolium cations—force-field proposal and validation. J. Phys. Chem B 106:13344–51
    [Google Scholar]
  21. 21. 
    Hanke CG, Johansson A, Harper JB, Lynden-Bell RM. 2003. Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study. Chem. Phys. Lett. 374:85–90
    [Google Scholar]
  22. 22. 
    Harper JB, Lynden-Bell RM. 2004. Macroscopic and microscopic properties of aromatic compounds in ionic liquids. Mol. Phys. 102:85–94
    [Google Scholar]
  23. 23. 
    Lynden-Bell RM. 2007. Can Marcus theory be applied to redox processes in ionic liquids? A comparative simulation study of dimethylimidazolium liquids and acetonitrile. J. Phys. Chem. B 111:10800–6
    [Google Scholar]
  24. 24. 
    Fedorov MV, Lynden-Bell RM. 2012. Probing the neutral graphene–ionic liquid interface: insights from molecular dynamics simulations. Phys. Chem. Chem. Phys. 14:2552–56
    [Google Scholar]
  25. 25. 
    Ivaništšev V, Fedorov MV, Lynden-Bell RM. 2014. Screening of ion-graphene electrode interactions by ionic liquids: the effects of liquid structure. J. Phys. Chem. C 118:5841–47
    [Google Scholar]
/content/journals/10.1146/annurev-physchem-090319-054423
Loading
/content/journals/10.1146/annurev-physchem-090319-054423
Loading

Data & Media loading...

  • Article Type: Review Article
This is a required field
Please enter a valid email address
Approval was a Success
Invalid data
An Error Occurred
Approval was partially successful, following selected items could not be processed due to error