All Stories

  1. ionic liquids with doubly charged cations .

    Article • Molecular Physics, February 2019, Taylor & Francis

    Professor Ruth M Lynden-Bell

  2. Lennard–Jones Lecture 2017*

    Article • Molecular Physics, February 2018, Taylor & Francis

    Professor Ruth M Lynden-Bell

  3. Using simulation in the 1980s

    Article • Molecular Physics, February 2015, Taylor & Francis

    Professor Ruth M Lynden-Bell

  4. An OHD-RIKES and simulation study comparing a benzylmethylimidazolium ionic liquid with an equimolar mixture of dimethylimidazolium and benzene

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  5. Local structure and intermolecular dynamics of an equimolar benzene and 1,3-dimethylimidazolium bis[(trifluoromethane)sulfonyl]amide mixture: Molecular dynamics simulations and OKE spectroscopic measurements

    Article • The Journal of Chemical Physics, July 2014, American Institute of Physics

    Professor Ruth M Lynden-Bell

  6. Screening of Ion–Graphene Electrode Interactions by Ionic Liquids: The Effects of Liquid Structure

    Article • The Journal of Physical Chemistry C, March 2014, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  7. Molecular dynamics simulations of the structure of the graphene–ionic liquid/alkali salt mixtures interface

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  8. Is a Stern and diffuse layer model appropriate to ionic liquids at surfaces?

    Article • Proceedings of the National Academy of Sciences, October 2013, Proceedings of the National Academy of Sciences

    Professor Ruth M Lynden-Bell

  9. Investigation of the Local Structure of Mixtures of an Ionic Liquid with Polar Molecular Species through Molecular Dynamics: Cluster Formation and Angular Distributions

    Article • The Journal of Physical Chemistry, May 2012, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  10. Predicting cavity formation free energy: how far is the Gaussian approximation valid?

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  11. Probing the neutral graphene–ionic liquid interface: insights from molecular dynamics simulations

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  12. Electrode screening by ionic liquids

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  13. Concluding remarks

    Article • Faraday Discussions, January 2012, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  14. Hydrogen bond strength and network structure effects on hydration of non-polar molecules

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

    nicolas giovambattista, Professor Ruth M Lynden-Bell

  15. Towards understanding water: simulation of modified water models

    Article • Journal of Physics Condensed Matter, June 2010, Institute of Physics Publishing

    Professor Ruth M Lynden-Bell

  16. Properties of Liquids Made from Modified Water Models

    Article • May 2010, Taylor & Francis

    Professor Ruth M Lynden-Bell

  17. Screening of pairs of ions dissolved in ionic liquids

    Article • Physical Chemistry Chemical Physics, January 2010, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  18. Simulations of imidazolium ionic liquids: when does the cation charge distribution matter?

    Article • Journal of Physics Condensed Matter, September 2009, Institute of Physics Publishing

    Professor Ruth M Lynden-Bell

  19. Redox potentials and screening in ionic liquids: Effects of sizes and shapes of solute ions

    Article • The Journal of Chemical Physics, November 2008, American Institute of Physics

    Professor Ruth M Lynden-Bell

  20. Nonlinear Relaxation in Redox Processes in Ionic and Polar Liquids

    Article • The Journal of Physical Chemistry C, September 2008, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  21. Negative heat capacities do occur. Comment on “Critical analysis of negative heat capacities in nanoclusters” by Michaelian K. and Santamaría-Holek I.

    Article • EPL (Europhysics Letters), May 2008, Institute of Physics Publishing

    Professor Ruth M Lynden-Bell

  22. A computational investigation of thermodynamics, structure, dynamics and solvation behavior in modified water models

    Article • The Journal of Chemical Physics, March 2008, American Institute of Physics

    Professor Ruth M Lynden-Bell

  23. Hydrophobic solvation of Gay–Berne particles in modified water models

    Article • The Journal of Chemical Physics, March 2008, American Institute of Physics

    Professor Ruth M Lynden-Bell

  24. ChemInform Abstract: Simulations of Ionic Liquids, Solutions, and Surfaces

    Article • ChemInform, February 2008, Wiley

    Professor Ruth M Lynden-Bell

  25. ChemInform Abstract: Clusters, Liquids, and Crystals of Dialkyimidazolium Salts: A Combined Perspective from ab initio and Classical Computer Simulations

    Article • ChemInform, February 2008, Wiley

    Professor Ruth M Lynden-Bell

  26. Phase diagrams and surface properties of modified water models

    Article • Molecular Physics, December 2007, Taylor & Francis

    Professor Ruth M Lynden-Bell

  27. Simulations of Ionic Liquids, Solutions, and Surfaces

    Article • Accounts of Chemical Research, November 2007, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  28. Clusters, Liquids, and Crystals of Dialkyimidazolium Salts. A Combined Perspective from ab Initio and Classical Computer Simulations

    Article • Accounts of Chemical Research, November 2007, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  29. Can Marcus Theory Be Applied to Redox Processes in Ionic Liquids? A Comparative Simulation Study of Dimethylimidazolium Liquids and Acetonitrile

    Article • The Journal of Physical Chemistry, September 2007, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  30. Does Marcus theory apply to redox processes in ionic liquids? A simulation study

    Article • Electrochemistry Communications, August 2007, Elsevier

    Professor Ruth M Lynden-Bell

  31. Lynden-Bell, Ruth M.: Reminiscences of Early Days of NMR

    Article • March 2007, Wiley

    Professor Ruth M Lynden-Bell

  32. Polarization Relaxation in an Ionic Liquid Confined between Electrified Walls

    Article • The Journal of Physical Chemistry B, February 2007, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  33. Lattice melting and rotation in perpetually pulsating equilibria

    Article • Physical Review E, January 2007, American Physical Society (APS)

    Professor Ruth M Lynden-Bell

  34. Solvation in modified water models: towards understanding hydrophobic effects

    Article • Molecular Physics, November 2006, Taylor & Francis

    Professor Ruth M Lynden-Bell

  35. The surface structure of ionic liquids: Comparing simulations with x-ray measurements

    Article • The Journal of Chemical Physics, November 2006, American Institute of Physics

    Professor Ruth M Lynden-Bell

  36. Using DL_POLY to study the sensitivity of liquid structure to potential parameters

    Article • Molecular Simulation, October 2006, Taylor & Francis

    Professor Ruth M Lynden-Bell

  37. Molecular electrostatic properties of ions in an ionic liquid

    Article • Molecular Physics, August 2006, Taylor & Francis

    Professor Ruth M Lynden-Bell

  38. Solvation Structure and Transport of Acidic Protons in Ionic Liquids:  A First-principles Simulation Study

    Article • The Journal of Physical Chemistry, May 2006, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  39. Simulation of the surface structure of butylmethylimidazolium ionic liquids

    Article • Physical Chemistry Chemical Physics, January 2006, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  40. Density Functional Theory Study of Tetrathiafulvalene and Thianthrene in Acetonitrile:  Structure, Dynamics, and Redox Properties

    Article • The Journal of Physical Chemistry B, November 2005, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  41. Structure and Dynamics of a Confined Ionic Liquid. Topics of Relevance to Dye-Sensitized Solar Cells

    Article • The Journal of Physical Chemistry, September 2005, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  42. Interactions of triiodide cluster ion with solvents

    Article • The European Physical Journal D, July 2005, Springer Science + Business Media

    Professor Ruth M Lynden-Bell

  43. Size-Dependent Maximum in Ion Conductivity:  The Levitation Effect Provides an Alternative Explanation

    Article • The Journal of Physical Chemistry, April 2005, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  44. Computational Investigation of Order, Structure, and Dynamics in Modified Water Models †

    Article • The Journal of Physical Chemistry, April 2005, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  45. Ab Initio Molecular Dynamics Simulation of a Room Temperature Ionic Liquid

    Article • The Journal of Physical Chemistry, March 2005, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  46. Solvent-induced symmetry breaking: Varying solvent strength

    Article • Physical Review E, February 2005, American Physical Society (APS)

    Professor Ruth M Lynden-Bell

  47. Simulation of interfaces between room temperature ionic liquids and other liquids

    Article • Faraday Discussions, January 2005, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  48. Relaxation to a Perpetually Pulsating Equilibrium

    Article • Journal of Statistical Physics, October 2004, Springer Science + Business Media

    Professor Ruth M Lynden-Bell

  49. Using Simulations to Study Vibrational Relaxation of Molecules in Liquids

    Article • January 2004, Springer Science + Business Media

    Professor Ruth M Lynden-Bell

  50. A Simulation Study of Water−Dialkylimidazolium Ionic Liquid Mixtures

    Article • The Journal of Physical Chemistry, October 2003, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  51. Temperature and solvent dependence of vibrational relaxation of tri-iodide: A simulation study

    Article • The Journal of Chemical Physics, September 2003, American Institute of Physics

    Professor Ruth M Lynden-Bell

  52. Gas—liquid interfaces of room temperature ionic liquids

    Article • Molecular Physics, August 2003, Taylor & Francis

    Professor Ruth M Lynden-Bell

  53. A simulation study of vibrational relaxation of I−3in liquids

    Article • Molecular Physics, June 2003, Taylor & Francis

    Professor Ruth M Lynden-Bell

  54. Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study

    Article • Chemical Physics Letters, June 2003, Elsevier

    Professor Ruth M Lynden-Bell

  55. Atomistic Molecular Dynamics Simulations of Chemical Force Microscopy

    Article • Journal of the American Chemical Society, June 2003, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  56. Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times

    Article • The Journal of Chemical Physics, June 2003, American Institute of Physics

    Professor Ruth M Lynden-Bell

  57. Solvent-Induced Symmetry Breaking

    Article • Physical Review Letters, May 2003, American Physical Society (APS)

    Professor Ruth M Lynden-Bell

  58. PURE VIBRATIONAL DEPHASING OF TRIIODIDE IN LIQUIDS AND GLASSES

    Article • Modern Physics Letters A, February 2003, World Scientific Pub Co Pte Lt

    Professor Ruth M Lynden-Bell

  59. Chemical potentials of water and organic solutes in imidazolium ionic liquids: a simulation study

    Article • Molecular Physics, October 2002, Taylor & Francis

    Professor Ruth M Lynden-Bell

  60. Solvation effects on equilibria: Triazoles and N-methyl piperidinol

    Article • Physical Chemistry Chemical Physics, September 2002, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  61. Determining the electronic structure and chemical potentials of molecules in solution

    Article • Physical Chemistry Chemical Physics, May 2002, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  62. Estimation of slow diffusion rates in confined systems: CCl4in zeolite NaA

    Article • Molecular Physics, March 2002, Taylor & Francis

    Professor Ruth M Lynden-Bell

  63. Evidence for partial dissociation of water on flat MgO(100) surfaces

    Article • Chemical Physics Letters, February 2002, Elsevier

    Professor Ruth M Lynden-Bell

  64. Solvation of small molecules in imidazolium ionic liquids: a simulation study

    Article • Green Chemistry, January 2002, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  65. Comment

    Article • Molecular Physics, January 2002, Taylor & Francis

    Professor Ruth M Lynden-Bell

  66. Comment

    Article • Molecular Physics, January 2002, Taylor & Francis

    Professor Ruth M Lynden-Bell

  67. Structures of adsorbed water layers on MgO: an ab initio study

    Article • Surface Science, January 2002, Elsevier

    Professor Ruth M Lynden-Bell

  68. A simulation study of films of n-hexane and n-perfluorohexane on a solid surface

    Article • Molecular Physics, August 2001, Taylor & Francis

    Professor Ruth M Lynden-Bell

  69. Computer simulation studies of the structure and dynamics of ions and non-polar solutes in water

    Article • Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences, August 2001, Royal Society Publishing

    Professor Ruth M Lynden-Bell

  70. Ab initio simulation of charged slabs at constant chemical potential

    Article • The Journal of Chemical Physics, July 2001, American Institute of Physics

    Professor Ruth M Lynden-Bell

  71. Is the hydrophobic effect unique to water? The relation between solvation properties and network structure in water and modified water models

    Article • Molecular Physics, June 2001, Taylor & Francis

    Professor Ruth M Lynden-Bell

  72. Symmetry breaking of the triiodide ion in acetonitrile solution

    Article • Chemical Physics Letters, June 2001, Elsevier

    Professor Ruth M Lynden-Bell

  73. Intermolecular potentials for simulations of liquid imidazolium salts

    Article • Molecular Physics, May 2001, Taylor & Francis

    Professor Ruth M Lynden-Bell

  74. Using simulation to study solvation in water

    Article • Pure and Applied Chemistry, January 2001, De Gruyter

    Professor Ruth M Lynden-Bell

  75. Computed vibrational wavenumbers in ammonium fluoride crystals

    Article • Journal of Raman Spectroscopy, January 2001, Wiley

    Professor Ruth M Lynden-Bell

  76. A Monte Carlo study of symmetry breaking of I[sub 3][sup −] in aqueous solution using a multistate diabatic Hamiltonian

    Article • The Journal of Chemical Physics, January 2001, American Institute of Physics

    Professor Ruth M Lynden-Bell

  77. Landau free energy curves for melting of quantum solids

    Article • The Journal of Chemical Physics, November 2000, American Institute of Physics

    Professor Ruth M Lynden-Bell

  78. The structure and spectroscopy of monolayers of water on MgO: An ab initio study

    Article • The Journal of Chemical Physics, August 2000, American Institute of Physics

    Professor Ruth M Lynden-Bell

  79. The pathway to reorientation in ammonium fluoride

    Article • Chemical Physics Letters, April 2000, Elsevier

    Professor Ruth M Lynden-Bell

  80. The behaviour of liquid alkanes near interfaces

    Article • Molecular Physics, February 2000, Taylor & Francis

    Professor Ruth M Lynden-Bell

  81. The behaviour of liquid alkanes near interfaces

    Article • Molecular Physics, February 2000, Taylor & Francis

    Professor Ruth M Lynden-Bell

  82. Surfactant structure around DNA in aqueous solution

    Article • Physical Chemistry Chemical Physics, January 2000, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  83. TRANSFER OF A POLLUTANT MOLECULE THROUGH A WATER FILM SUPPORTED BY MgO(100): FREE ENERGY PROFILES

    Article • Surface Review and Letters, December 1999, World Scientific Pub Co Pte Lt

    Professor Ruth M Lynden-Bell

  84. The velocity distribution of desorbing molecules: a simulation study

    Article • Molecular Physics, November 1999, Taylor & Francis

    Professor Ruth M Lynden-Bell

  85. The velocity distribution of desorbing molecules: a simulation study

    Article • Molecular Physics, November 1999, Taylor & Francis

    Professor Ruth M Lynden-Bell

  86. Transfer of a pollutant molecule through a water film on a single crystal surface

    Article • The Journal of Chemical Physics, September 1999, American Institute of Physics

    Professor Ruth M Lynden-Bell

  87. Exact quantum solutions of extraordinary N-body problems

    Article • Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences, September 1999, Royal Society Publishing

    Professor Ruth M Lynden-Bell

  88. Permeability of gases through foams

    Article • Computer Physics Communications, September 1999, Elsevier

    Professor Ruth M Lynden-Bell

  89. A simulation study of the kinetics of passage of CO2 and N2 through the liquid/vapor interface of water

    Article • The Journal of Chemical Physics, August 1999, American Institute of Physics

    Professor Ruth M Lynden-Bell

  90. Molecular dynamics simulation of atomic force microscopy: imaging single-atom vacancies on Ag(001) and Pt(001)

    Article • Surface Science, July 1999, Elsevier

    Professor Ruth M Lynden-Bell

  91. Determining surface free energies of crystals with highly disordered surfaces from simulation

    Article • Molecular Physics, April 1999, Taylor & Francis

    Professor Ruth M Lynden-Bell

  92. Displacement and distortion of the ammonium ion in rotational transition states in ammonium fluoride and ammonium chloride

    Article • The Journal of Chemical Physics, March 1999, American Institute of Physics

    Professor Ruth M Lynden-Bell

  93. Exact general solutions to extraordinary N-body problems

    Article • Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences, February 1999, Royal Society Publishing

    Professor Ruth M Lynden-Bell

  94. The surface-ordered phase of liquid heptadecane: a simulation study

    Article • Molecular Physics, January 1999, Taylor & Francis

    Professor Ruth M Lynden-Bell

  95. The passage of gases through the liquid water/vapour interface: a simulation study

    Article • Physical Chemistry Chemical Physics, January 1999, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  96. Orientationally Disordered Solids

    Article • January 1999, Springer Science + Business Media

    Professor Ruth M Lynden-Bell

  97. Afterword

    Article • January 1999, Springer Science + Business Media

    Professor Ruth M Lynden-Bell

  98. Long range corrections for charged systems

    Article • January 1999, American Institute of Physics

    Professor Ruth M Lynden-Bell

  99. The Chemical Bond in Molecules and Solids

    Article • January 1999, Springer Science + Business Media

    Professor Ruth M Lynden-Bell

  100. Does solvation cause symmetry breaking in the I3− ion in aqueous solution?

    Article • The Journal of Chemical Physics, December 1998, American Institute of Physics

    Professor Ruth M Lynden-Bell

  101. Friction Coefficients of Ions in Aqueous Solution at 25 °C

    Article • Journal of the American Chemical Society, November 1998, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  102. Article

    Article • Canadian Journal of Chemistry, November 1998, Canadian Science Publishing

    Professor Ruth M Lynden-Bell

  103. A molecular dynamics study of the structure of water layers adsorbed on MgO(100)

    Article • The Journal of Chemical Physics, August 1998, American Institute of Physics

    Professor Ruth M Lynden-Bell

  104. Solvent Structure, Dynamics, and Ion Mobility in Aqueous Solutions at 25 °C

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

    Professor Ruth M Lynden-Bell

  105. An ab initio and neutron diffraction study of ammonium chloride

    Article • Canadian Journal of Chemistry, January 1998, Canadian Science Publishing

    Professor Ruth M Lynden-Bell

  106. Atomistic simulation of the stretching of nanoscale metal wires

    Article • Molecular Physics, November 1997, Taylor & Francis

    Professor Ruth M Lynden-Bell

  107. From hydrophobic to hydrophilic behaviour: A simulation study of solvation entropy and free energy of simple solutes

    Article • The Journal of Chemical Physics, August 1997, American Institute of Physics

    Professor Ruth M Lynden-Bell

  108. On the shapes of Newton's revolving orbits

    Article • Notes and Records the Royal Society Journal of the History of Science, July 1997, Royal Society Publishing

    Professor Ruth M Lynden-Bell

  109. Atomistic simulations of fluid structure and solvation forces in atomic force microscopy

    Article • Surface Science, May 1997, Elsevier

    Professor Ruth M Lynden-Bell

  110. Mobility and solvation of ions in channels

    Article • The Journal of Chemical Physics, November 1996, American Institute of Physics

    Professor Ruth M Lynden-Bell

  111. General discussion

    Article • Faraday Discussions, January 1996, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  112. General discussion

    Article • Faraday Discussions, January 1996, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  113. Landau free energy, Landau entropy, phase transitions and limits of metastability in an analytical model with a variable number of degrees of freedom

    Article • Molecular Physics, December 1995, Taylor & Francis

    Professor Ruth M Lynden-Bell

  114. Ab initio atomistic simulation of the strength of defective aluminum and tests of empirical force models

    Article • December 1995, American Physical Society (APS)

    Professor Ruth M Lynden-Bell

  115. A simulation study of induced disorder, failure and fracture of perfect metal crystals under uniaxial tension

    Article • Journal of Physics Condensed Matter, June 1995, Institute of Physics Publishing

    Professor Ruth M Lynden-Bell

  116. Erratum to “Surface and bulk properties of metals modelled with Sutton-Chen potentials” [Surface Science 281 (1993) 191]

    Article • Surface Science, April 1995, Elsevier

    Professor Ruth M Lynden-Bell

  117. A computer simulation study of the disorder in ammonium perrhenate

    Article • Journal of Physics Condensed Matter, November 1994, Institute of Physics Publishing

    Professor Ruth M Lynden-Bell

  118. Crystalline potassium perrhenate: a study using molecular dynamics and lattice dynamics

    Article • Journal of Physics Condensed Matter, November 1994, Institute of Physics Publishing

    Professor Ruth M Lynden-Bell

  119. The Regular Tetrahedron Extension of Lagrange's Three Bodies

    Article • Monthly Notices of the Royal Astronomical Society, July 1994, Oxford University Press (OUP)

    Professor Ruth M Lynden-Bell

  120. Free energy barriers to melting in atomic clusters

    Article • The Journal of Chemical Physics, July 1994, American Institute of Physics

    Professor Ruth M Lynden-Bell

  121. Translation-rotation coupling, phase transitions, and elastic phenomena in orientationally disordered crystals

    Article • Reviews of Modern Physics, July 1994, American Physical Society (APS)

    Professor Ruth M Lynden-Bell

  122. Computer Simulations of Fracture at the Atomic Level

    Article • Science, March 1994, American Association for the Advancement of Science

    Professor Ruth M Lynden-Bell

  123. Structural fluctuations and the order-disorder phase transition in calcite

    Article • Journal of Physics Condensed Matter, February 1994, Institute of Physics Publishing

    Professor Ruth M Lynden-Bell

  124. Effects of atomic-force-microscope tip characteristics on measurement of solvation-force oscillations

    Article • January 1994, American Physical Society (APS)

    Professor Ruth M Lynden-Bell

  125. Free energy changes on freezing and melting ductile metals

    Article • Molecular Physics, November 1993, Taylor & Francis

    Professor Ruth M Lynden-Bell

  126. Force oscillations and liquid structure in simulations of an atomic force microscope tip in a liquid

    Article • Chemical Physics Letters, August 1993, Elsevier

    Professor Ruth M Lynden-Bell

  127. Stress‐induced failure and melting of ideal solids

    Article • The Journal of Chemical Physics, June 1993, American Institute of Physics

    Professor Ruth M Lynden-Bell

  128. The orientational order/disorder phase transition of urea-paraffin inclusion compounds

    Article • Molecular Physics, June 1993, Taylor & Francis

    Professor Ruth M Lynden-Bell

  129. What is the Natural Boundary of a Protein in Solution?

    Article • Journal of Molecular Biology, March 1993, Elsevier

    Professor Ruth M Lynden-Bell

  130. Simulation of water around a model protein helix. 2. The relative contributions of packing, hydrophobicity, and hydrogen bonding

    Article • The Journal of Physical Chemistry, March 1993, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  131. Simulation of water around a model protein helix. 1. Two-dimensional projections of solvent structure

    Article • The Journal of Physical Chemistry, March 1993, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  132. Surface and bulk properties of metals modelled with Sutton-Chen potentials

    Article • Surface Science, January 1993, Elsevier

    Professor Ruth M Lynden-Bell

  133. Surface and bulk properties of metals modelled with Sutton-Chen potentials

    Article • Surface Science Letters, January 1993, Elsevier

    Professor Ruth M Lynden-Bell

  134. Molecular-dynamics study of successive phase transitions in potassium selenate

    Article • December 1992, American Physical Society (APS)

    Professor Ruth M Lynden-Bell

  135. Velocity autocorrelation functions of particles and clusters in liquids. A possible criterion for correlation length of incipient glass formation

    Article • The Journal of Chemical Physics, December 1992, American Institute of Physics

    Professor Ruth M Lynden-Bell

  136. A computational study of metal stepped surfaces

    Article • Surface Science, November 1992, Elsevier

    Professor Ruth M Lynden-Bell

  137. A computational study of metal stepped surfaces

    Article • Surface Science Letters, November 1992, Elsevier

    Professor Ruth M Lynden-Bell

  138. The fracture of perfect crystals under uniaxial tension at high temperatures

    Article • Journal of Physics Condensed Matter, March 1992, Institute of Physics Publishing

    Professor Ruth M Lynden-Bell

  139. Migration of adatoms on the (100) surface of face-centred-cubic metals

    Article • Surface Science, December 1991, Elsevier

    Professor Ruth M Lynden-Bell

  140. Migration of adatoms on the (100) surface of face-centred-cubic metals

    Article • Surface Science Letters, December 1991, Elsevier

    Professor Ruth M Lynden-Bell

  141. The onset of disorder on a surface with a step

    Article • Molecular Physics, August 1991, Taylor & Francis

    Professor Ruth M Lynden-Bell

  142. Rotational relaxation in dense gases

    Article • Chemical Physics Letters, August 1991, Elsevier

    Professor Ruth M Lynden-Bell

  143. Incommensurate Structures [and Discussion]

    Article • Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences, March 1991, Royal Society Publishing

    Professor Ruth M Lynden-Bell

  144. The interaction of crystal surfaces in close proximity

    Article • Surface Science, March 1991, Elsevier

    Professor Ruth M Lynden-Bell

  145. The interaction of crystal surfaces in close proximity

    Article • Surface Science Letters, March 1991, Elsevier

    Professor Ruth M Lynden-Bell

  146. Synthesis, structure and isomerism of [Mn2(µ-PPhR)2(CO)8](R = H, alkyl, acyl or carboxylate); crystal structures of trans-[Mn2(µ-PPhR)2(CO)8](R = H or COMe)

    Article • Journal of the Chemical Society Dalton Transactions, January 1991, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  147. A computer simulation investigation of surface disordering in adsorbed multilayers

    Article • Surface Science, May 1990, Elsevier

    Professor Ruth M Lynden-Bell

  148. A molecular dynamics study of orientational disordering in crystalline sodium nitrate

    Article • Journal of Physics Condensed Matter, September 1989, Institute of Physics Publishing

    Professor Ruth M Lynden-Bell

  149. Reorientational Correlation Functions, Quaternions and Wigner Rotation Matrices

    Article • Molecular Simulation, August 1989, Taylor & Francis

    Professor Ruth M Lynden-Bell

  150. Distribution and dynamics of mobile ions in systems of ordered B-DNA

    Article • Molecular Physics, June 1989, Taylor & Francis

    Professor Ruth M Lynden-Bell

  151. Steady-state structure and dynamics of a two-dimensional conducting fluid

    Article • Molecular Physics, May 1989, Taylor & Francis

    Professor Ruth M Lynden-Bell

  152. Separation of vibrational dephasing and reorientational contributions to the infrared and Raman lineshapes in a simulation of MeCN

    Article • Chemical Physics Letters, January 1989, Elsevier

    Professor Ruth M Lynden-Bell

  153. Nonlinear Burnett coefficients

    Article • November 1988, American Physical Society (APS)

    Professor Ruth M Lynden-Bell

  154. The effects of pressure and temperature on vibrational dephasing in a simulation of liquid CH3CN

    Article • Molecular Physics, August 1987, Taylor & Francis

    Professor Ruth M Lynden-Bell

  155. A molecular dynamics study of the intermolecular spin-spin dipole-dipole correlation function of liquid acetonitrile

    Article • Journal of Magnetic Resonance (1969), May 1987, Elsevier

    Professor Ruth M Lynden-Bell

  156. A study of vibrational dephasing of theA1modes of CH3CN in a computer simulation of the liquid phase

    Article • Molecular Physics, April 1987, Taylor & Francis

    Professor Ruth M Lynden-Bell

  157. A molecular dynamics study of the rotator phase of t-butyl bromide

    Article • Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics, January 1987, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  158. General discussion

    Article • Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics, January 1987, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  159. A model of the paraelectric phase of thiourea

    Article • Philosophical Magazine B, December 1986, Taylor & Francis

    Professor Ruth M Lynden-Bell

  160. Investigation of the lattice vibrations of solid NaNO2 by means of molecular dynamics calculations

    Article • Chemical Physics, November 1986, Elsevier

    Professor Ruth M Lynden-Bell

  161. A simulation study of the disordered phase of CBr 4 . II. Collective properties and rotation-translation coupling

    Article • Journal of Physics C Solid State Physics, June 1986, Institute of Physics Publishing

    Professor Ruth M Lynden-Bell

  162. Translational molecular motion and cages in computer molecular liquids

    Article • Molecular Physics, June 1986, Taylor & Francis

    Professor Ruth M Lynden-Bell

  163. Reorientational motion in liquid MeCN and its relationship to the properties of the intermolecular torques

    Article • Molecular Physics, May 1986, Taylor & Francis

    Professor Ruth M Lynden-Bell

  164. Motion in surface layers of N2 on graphite

    Article • Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics, January 1986, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  165. Reorientation of N2adsorbed on graphite in various computer simulated phases

    Article • Molecular Physics, January 1985, Taylor & Francis

    Professor Ruth M Lynden-Bell

  166. Phonon-orientational coupling in sodium nitrite

    Article • December 1984, Springer Science + Business Media

    Professor Ruth M Lynden-Bell

  167. A model for strongly hindered molecular reorientation in liquids

    Article • The Journal of Physical Chemistry, December 1984, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  168. Generation of heteronuclear 13C1H chemical-shift correlations using soft pulses

    Article • Journal of Magnetic Resonance (1969), October 1984, Elsevier

    Professor Ruth M Lynden-Bell

  169. The structure of the incommensurate modulated phase of NaNO2

    Article • September 1984, Springer Science + Business Media

    Professor Ruth M Lynden-Bell

  170. Molecular motion in a model of liquid acetonitrile

    Article • Molecular Physics, February 1984, Taylor & Francis

    Professor Ruth M Lynden-Bell

  171. Comparison of the Results from Simulations with the Predictions of Models for Molecular Reorientation

    Article • January 1984, Springer Science + Business Media

    Professor Ruth M Lynden-Bell

  172. Selective DEPT pulse sequence. A rapid one-dimensional experiment for the simultaneous determination of carbon-proton chemical-shift correlations and CHn multiplicities

    Article • Journal of the American Chemical Society, November 1983, American Chemical Society (ACS)

    Professor Ruth M Lynden-Bell

  173. A vector description of multiple-quantum coherence in AXn spin systems

    Article • Journal of Magnetic Resonance (1969), October 1983, Elsevier

    Professor Ruth M Lynden-Bell

  174. Use of a purging pulse to eliminate phase distortions in heteronuclear multiple pulse NMR spectra of liquids

    Article • Journal of Magnetic Resonance (1969), June 1983, Elsevier

    Professor Ruth M Lynden-Bell

  175. Analysis of translation-rotation coupling in an orientationally disordered ionic crystal

    Article • Molecular Physics, April 1983, Taylor & Francis

    Professor Ruth M Lynden-Bell

  176. Reviews of books

    Article • Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics, January 1983, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  177. Tests of models of molecular reorientation in liquids

    Article • Chemical Physics Letters, June 1982, Elsevier

    Professor Ruth M Lynden-Bell

  178. Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules

    Article • Molecular Physics, August 1981, Taylor & Francis

    Professor Ruth M Lynden-Bell

  179. Are models necessary to describe molecular reorientation of symmetrical molecules?

    Article • Chemical Physics Letters, March 1980, Elsevier

    Professor Ruth M Lynden-Bell

  180. General discussion

    Article • Faraday Discussions of the Chemical Society, January 1980, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  181. Transient oscillations in heteronuclear double resonance spectra of coupled systems

    Article • Journal of Magnetic Resonance (1969), January 1980, Elsevier

    Professor Ruth M Lynden-Bell

  182. Reviews of books

    Article • Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics, January 1979, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  183. Coupling of vibrational and reorientational dephasing in mobile liquids

    Article • Molecular Physics, November 1978, Taylor & Francis

    Professor Ruth M Lynden-Bell

  184. Investigation of the internal rotation of methyl groups by T1 relaxation measurements

    Article • Journal of Magnetic Resonance (1969), July 1978, Elsevier

    Professor Ruth M Lynden-Bell

  185. Reviews of books

    Article • Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics, January 1978, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  186. On the negative specific heat paradox

    Article • Monthly Notices of the Royal Astronomical Society, December 1977, Oxford University Press (OUP)

    Professor Ruth M Lynden-Bell

  187. Vibrational relaxation and line widths in liquids dephasing by intermolecular forces

    Article • Molecular Physics, April 1977, Taylor & Francis

    Professor Ruth M Lynden-Bell

  188. Vibrational relaxation and line widths in liquids: a comparison of theory and experiment

    Article • Chemical Physics Letters, February 1977, Elsevier

    Professor Ruth M Lynden-Bell

  189. Heteronuclear double resonance: Theoretical description of intensity effects in A(X2) and A(X3) systems

    Article • Journal of Magnetic Resonance (1969), February 1977, Elsevier

    Professor Ruth M Lynden-Bell

  190. The effect of molecular reorientation on the lineshapes of degenerate vibrations in infra-red and Raman spectra of liquids

    Article • Molecular Physics, June 1976, Taylor & Francis

    Professor Ruth M Lynden-Bell

  191. Theory of vibrational linewidths

    Article • Chemical Physics Letters, February 1976, Elsevier

    Professor Ruth M Lynden-Bell

  192. The relaxation matrices for AX2 and AX3 nuclear spin systems

    Article • Molecular Physics, August 1975, Taylor & Francis

    Professor Ruth M Lynden-Bell

  193. Simulated electron spin resonance spectra of nitroxide spin labels in slowly reorienting rod shaped molecules

    Article • Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical Physics, January 1975, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  194. Nuclear spin relaxation by symmetric and antisymmetric components of the shielding tensor

    Article • Molecular Physics, January 1975, Taylor & Francis

    Professor Ruth M Lynden-Bell

  195. The spin density matrix for slowly reorienting molecules in zero field

    Article • Molecular Physics, October 1973, Taylor & Francis

    Professor Ruth M Lynden-Bell

  196. Proton and phosphorus-31 nuclear magnetic resonance spectra of octahedral trisdimethylphenylphosphine complexes with meridional configurations

    Article • Journal of the Chemical Society Dalton Transactions, January 1973, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  197. Symmetry and the Slowly Tumbling Spin System

    Article • January 1972, Springer Science + Business Media

    Professor Ruth M Lynden-Bell

  198. Magnitude and signs of phosphorus-phosphorus coupling constants, 2JPMP′, in transition metal-phosphine complexes

    Article • Inorganic and Nuclear Chemistry Letters, December 1971, Elsevier

    Professor Ruth M Lynden-Bell

  199. Perturbation of the angular correlation of γ-rays by molecular motion

    Article • Molecular Physics, January 1971, Taylor & Francis

    Professor Ruth M Lynden-Bell

  200. The line shapes of a tumbling triplet

    Article • Molecular Physics, January 1971, Taylor & Francis

    Professor Ruth M Lynden-Bell

  201. A density matrix formulation of the theory of magnetic resonance spectra in slowly reorienting systems

    Article • Molecular Physics, January 1971, Taylor & Francis

    Professor Ruth M Lynden-Bell

  202. Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules

    Article • Molecular Physics, September 1970, Taylor & Francis

    Professor Ruth M Lynden-Bell

  203. Phosphorus–fluorine compounds. Part XVIII. Some N.m.r. observations on tetrakis(fluorophosphine) and mixed fluorophosphine–carbonyl complexes of nickel(O)

    Article • Journal of the Chemical Society A Inorganic Physical Theoretical, January 1970, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  204. Phosphorus-phosphorus coupling constants in cis-and trans-isomers of bis(trifluorophosphine)chromium tetracarbonyl

    Article • Journal of Organometallic Chemistry, January 1970, Elsevier

    Professor Ruth M Lynden-Bell

  205. The [AX]4nuclear spin system with tetrahedral symmetry

    Article • Molecular Physics, January 1968, Taylor & Francis

    Professor Ruth M Lynden-Bell

  206. Substituent effects on the rotational strength of the n–π* carbonyl band

    Article • Journal of the Chemical Society A Inorganic Physical Theoretical, January 1967, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  207. Chapter 4 The calculation of line shapes by density matrix methods

    Article • Progress in Nuclear Magnetic Resonance Spectroscopy, January 1967, Elsevier

    Professor Ruth M Lynden-Bell

  208. Relaxation and Linewidths in Some Nuclear Magnetic Resonance Spectra

    Article • Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences, July 1965, Royal Society Publishing

    Professor Ruth M Lynden-Bell

  209. The line shapes of the E.S.R. spectrum of a system of interacting triplets

    Article • Molecular Physics, January 1964, Taylor & Francis

    Professor Ruth M Lynden-Bell

  210. The N.M.R. spectra of the A3*A3*X2and the A4X2systems

    Article • Molecular Physics, July 1963, Taylor & Francis

    Professor Ruth M Lynden-Bell

  211. The N.M.R. spectrum of13C-substituted vinyl bromide

    Article • Molecular Physics, June 1963, Taylor & Francis

    Professor Ruth M Lynden-Bell

  212. High-Resolution Nuclear-Magnetic-Resonance Spectra of Hydrocarbon Groupings. VI. The Hydrogen Spectra of Carbon-13 Substituted Ethane, Ethylene and Acetylene

    Article • Proceedings of the Royal Society A Mathematical Physical and Engineering Sciences, September 1962, Royal Society Publishing

    Professor Ruth M Lynden-Bell

  213. Theory of Paramagnetic Excitons in Solid Free Radicals

    Article • The Journal of Chemical Physics, August 1962, American Institute of Physics

    Professor Ruth M Lynden-Bell

  214. Paramagnetic Excitons in Solid Free Radicals

    Article • The Journal of Chemical Physics, May 1962, American Institute of Physics

    Professor Ruth M Lynden-Bell

  215. High resolution nuclear magnetic resonance spectra of diphosphine and monophosphine

    Article • Transactions of the Faraday Society, January 1961, Royal Society of Chemistry

    Professor Ruth M Lynden-Bell

  216. Molecular Structure and Dynamics

    Article • Wiley

    Professor Ruth M Lynden-Bell

  217. Molecular Structure and Dynamics

    Article • Wiley

    Professor Ruth M Lynden-Bell