Ruth M. Lynden-Bell - Publications

Affiliations: 
Chemistry University of Cambridge, Cambridge, England, United Kingdom 
Area:
nuclear magnetic resonance
Website:
http://en.wikipedia.org/wiki/Ruth_Lynden-Bell

192 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Ivaništšev V, Méndez-Morales T, Lynden-Bell RM, Cabeza O, Gallego LJ, Varela LM, Fedorov MV. Molecular origin of high free energy barriers for alkali metal ion transfer through ionic liquid-graphene electrode interfaces. Physical Chemistry Chemical Physics : Pccp. PMID 26661060 DOI: 10.1039/c5cp05973a  1
2015 Gómez-González V, Docampo-Álvarez B, Cabeza O, Fedorov M, Lynden-Bell RM, Gallego LJ, Varela LM. Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids. The Journal of Chemical Physics. 143: 124507. PMID 26429024 DOI: 10.1063/1.4931656  1
2015 Xue L, Tamas G, Matthews RP, Stone AJ, Hunt PA, Quitevis EL, Lynden-Bell RM. An OHD-RIKES and simulation study comparing a benzylmethylimidazolium ionic liquid with an equimolar mixture of dimethylimidazolium and benzene. Physical Chemistry Chemical Physics : Pccp. 17: 9973-83. PMID 25783621 DOI: 10.1039/c5cp00550g  1
2015 Lynden-Bell RM. Using simulation in the 1980s Molecular Physics. DOI: 10.1080/00268976.2015.1016131  1
2015 Xu S, Xing S, Pei SS, Ivaništšev V, Lynden-Bell R, Baldelli S. Molecular Response of 1-Butyl-3-Methylimidazolium Dicyanamide Ionic Liquid at the Graphene Electrode Interface Investigated by Sum Frequency Generation Spectroscopy and Molecular Dynamics Simulations Journal of Physical Chemistry C. 119: 26009-26019. DOI: 10.1021/acs.jpcc.5b08736  1
2014 Lynden-Bell RM, Xue L, Tamas G, Quitevis EL. 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. The Journal of Chemical Physics. 141: 044506. PMID 25084925 DOI: 10.1063/1.4890529  1
2014 Méndez-Morales T, Carrete J, Pérez-Rodríguez M, Cabeza Ó, Gallego LJ, Lynden-Bell RM, Varela LM. Molecular dynamics simulations of the structure of the graphene-ionic liquid/alkali salt mixtures interface. Physical Chemistry Chemical Physics : Pccp. 16: 13271-8. PMID 24871696 DOI: 10.1039/c4cp00918e  1
2014 Ivaništšev V, Fedorov MV, Lynden-Bell RM. Screening of ion-graphene electrode interactions by ionic liquids: The effects of liquid structure Journal of Physical Chemistry C. 118: 5841-5847. DOI: 10.1021/jp4120783  1
2013 Perkin S, Salanne M, Madden P, Lynden-Bell R. Is a Stern and diffuse layer model appropriate to ionic liquids at surfaces? Proceedings of the National Academy of Sciences of the United States of America. 110: E4121. PMID 24135005 DOI: 10.1073/pnas.1314188110  1
2012 Carrete J, Méndez-Morales T, Cabeza Ó, Lynden-Bell RM, Gallego LJ, Varela LM. Investigation of the local structure of mixtures of an ionic liquid with polar molecular species through molecular dynamics: cluster formation and angular distributions. The Journal of Physical Chemistry. B. 116: 5941-50. PMID 22587330 DOI: 10.1021/jp301309s  1
2012 Head-Gordon T, Lynden-Bell RM, Dowdle JR, Rossky PJ. Predicting cavity formation free energy: how far is the Gaussian approximation valid? Physical Chemistry Chemical Physics : Pccp. PMID 22495173 DOI: 10.1039/c2cp00046f  1
2012 Fedorov MV, Lynden-Bell RM. Probing the neutral graphene-ionic liquid interface: insights from molecular dynamics simulations. Physical Chemistry Chemical Physics : Pccp. 14: 2552-6. PMID 22261874 DOI: 10.1039/c2cp22730d  1
2012 Lynden-Bell RM, Frolov AI, Fedorov MV. Electrode screening by ionic liquids. Physical Chemistry Chemical Physics : Pccp. 14: 2693-701. PMID 22252711 DOI: 10.1039/c2cp23267g  1
2012 Lynden-Bell RM. Concluding remarks Faraday Discussions. 154: 465-471. DOI: 10.1039/c1fd00108f  1
2011 Lynden-Bell RM, Giovambattista N, Debenedetti PG, Head-Gordon T, Rossky PJ. Hydrogen bond strength and network structure effects on hydration of non-polar molecules. Physical Chemistry Chemical Physics : Pccp. 13: 2748-57. PMID 21152590 DOI: 10.1039/c0cp01701a  1
2010 Lynden-Bell RM. Towards understanding water: simulation of modified water models. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 22: 284107. PMID 21399279 DOI: 10.1088/0953-8984/22/28/284107  1
2010 Lynden-Bell RM. Screening of pairs of ions dissolved in ionic liquids. Physical Chemistry Chemical Physics : Pccp. 12: 1733-40. PMID 20145837 DOI: 10.1039/b916987c  1
2009 Lynden-Bell RM, Youngs TG. Simulations of imidazolium ionic liquids: when does the cation charge distribution matter? Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 424120. PMID 21715855 DOI: 10.1088/0953-8984/21/42/424120  1
2008 Lynden-Bell RM. Redox potentials and screening in ionic liquids: effects of sizes and shapes of solute ions. The Journal of Chemical Physics. 129: 204503. PMID 19045869 DOI: 10.1063/1.3020439  1
2008 Chatterjee S, Debenedetti PG, Stillinger FH, Lynden-Bell RM. A computational investigation of thermodynamics, structure, dynamics and solvation behavior in modified water models. The Journal of Chemical Physics. 128: 124511. PMID 18376947 DOI: 10.1063/1.2841127  1
2008 Head-Gordon T, Lynden-Bell RM. Hydrophobic solvation of Gay-Berne particles in modified water models. The Journal of Chemical Physics. 128: 104506. PMID 18345905 DOI: 10.1063/1.2837289  1
2008 Lynden-Bell D, Lynden-Bell RM. Negative heat capacities do occur. Comment on "critical analysis of negative heat capacities in nanoclusters" by Michaelian K. and Santamaría-Holek I. Epl. 82. DOI: 10.1209/0295-5075/82/43001  1
2008 Streeter I, Lynden-Bell RM, Compton RG. Nonlinear relaxation in redox processes in ionic and polar liquids Journal of Physical Chemistry C. 112: 14538-14544. DOI: 10.1021/jp804958p  1
2008 Hardacre C, Hunt PA, Maginn EJ, Lynden-Bell RM, Richter J, Leuchter A, Palmer G, Dölle A, Wahlbeck PG, Robert Carper W. Molecular Structure and Dynamics Ionic Liquids in Synthesis: Second Edition. 1: 175-264. DOI: 10.1002/9783527621194.ch4  1
2007 Del Pópolo MG, Kohanoff J, Lynden-Bell RM, Pinilla C. Clusters, liquids, and crystals of dialkyimidazolium salts. A combined perspective from ab initio and classical computer simulations. Accounts of Chemical Research. 40: 1156-64. PMID 17979251 DOI: 10.1021/ar700069c  1
2007 Lynden-Bell RM, Del Pópolo MG, Youngs TG, Kohanoff J, Hanke CG, Harper JB, Pinilla CC. Simulations of ionic liquids, solutions, and surfaces. Accounts of Chemical Research. 40: 1138-45. PMID 17914887 DOI: 10.1021/ar700065s  1
2007 Lynden-Bell RM. Can marcus theory be applied to redox processes in ionic liquids? A comparative simulation study of dimethylimidazolium liquids and acetonitrile. The Journal of Physical Chemistry. B. 111: 10800-6. PMID 17713944 DOI: 10.1021/jp074298s  1
2007 Pinilla C, Del Pópolo MG, Kohanoff J, Lynden-Bell RM. Polarization relaxation in an ionic liquid confined between electrified walls. The Journal of Physical Chemistry. B. 111: 4877-84. PMID 17295537 DOI: 10.1021/jp067184+  1
2007 Pichon C, Lynden-Bell D, Pichon J, Lynden-Bell R. Lattice melting and rotation in perpetually pulsating equilibria Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 75. DOI: 10.1103/PhysRevE.75.011125  1
2007 Alejandre J, Lynden-Bell RM. Phase diagrams and surface properties of modified water models Molecular Physics. 105: 3029-3033. DOI: 10.1080/00268970701733405  1
2007 Lynden-Bell RM. Does Marcus theory apply to redox processes in ionic liquids? A simulation study Electrochemistry Communications. 9: 1857-1861. DOI: 10.1016/j.elecom.2007.04.010  1
2006 Sloutskin E, Lynden-Bell RM, Balasubramanian S, Deutsch M. The surface structure of ionic liquids: comparing simulations with x-ray measurements. The Journal of Chemical Physics. 125: 174715. PMID 17100469 DOI: 10.1063/1.2361289  1
2006 Del Pópolo MG, Kohanoff J, Lynden-Bell RM. Solvation structure and transport of acidic protons in ionic liquids: a first-principles simulation study. The Journal of Physical Chemistry. B. 110: 8798-803. PMID 16640438 DOI: 10.1021/jp0602326  1
2006 VandeVondele J, Lynden-Bell R, Meijer EJ, Sprik M. Density functional theory study of tetrathiafulvalene and thianthrene in acetonitrile: structure, dynamics, and redox properties. The Journal of Physical Chemistry. B. 110: 3614-23. PMID 16494417 DOI: 10.1021/jp054841+  1
2006 Lynden-Bell RM, Del Pópolo M. Simulation of the surface structure of butylmethylimidazolium ionic liquids. Physical Chemistry Chemical Physics : Pccp. 8: 949-54. PMID 16482337 DOI: 10.1039/b514848k  1
2006 Lynden-Bell RM, Youngs TGA. Using DL_POLY to study the sensitivity of liquid structure to potential parameters Molecular Simulation. 32: 1025-1033. DOI: 10.1080/08927020600823133  1
2006 Lynden-Bell RM, Head-Gordon T. Solvation in modified water models: Towards understanding hydrophobic effects Molecular Physics. 104: 3593-3605. DOI: 10.1080/00268970601022727  1
2006 Prado CER, Del Pópolo MG, Youngs TGA, Kohanoff J, Lynden-Bell RM. Molecular electrostatic properties of ions in an ionic liquid Molecular Physics. 104: 2477-2483. DOI: 10.1080/00268970600765748  1
2005 Pinilla C, Del Pópolo MG, Lynden-Bell RM, Kohanoff J. Structure and dynamics of a confined ionic liquid. Topics of relevance to dye-sensitized solar cells. The Journal of Physical Chemistry. B. 109: 17922-7. PMID 16853300 DOI: 10.1021/jp052999o  1
2005 Ghorai PK, Yashonath S, Lynden-Bell RM. Size-dependent maximum in ion conductivity: the levitation effect provides an alternative explanation. The Journal of Physical Chemistry. B. 109: 8120-4. PMID 16851949 DOI: 10.1021/jp044605j  1
2005 Lynden-Bell RM, Debenedetti PG. Computational investigation of order, structure, and dynamics in modified water models. The Journal of Physical Chemistry. B. 109: 6527-34. PMID 16851733 DOI: 10.1021/jp0458553  1
2005 Del Pópolo MG, Lynden-Bell RM, Kohanoff J. Ab initio molecular dynamics simulation of a room temperature ionic liquid. The Journal of Physical Chemistry. B. 109: 5895-902. PMID 16851642 DOI: 10.1021/jp044414g  1
2005 Zhang FS, Lynden-Bell RM. Solvent-induced symmetry breaking: varying solvent strength. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 71: 021502. PMID 15783328 DOI: 10.1103/PhysRevE.71.021502  1
2005 Lynden-Bell RM, Kohanoff J, Del Popolo MG. Simulation of interfaces between room temperature ionic liquids and other liquids. Faraday Discussions. 129: 57-67; discussion 89. PMID 15715299 DOI: 10.1039/b405514d  1
2005 Zhang FS, Lynden-Bell RM. Interactions of triiodide cluster ion with solvents European Physical Journal D. 34: 129-132. DOI: 10.1140/epjd/e2005-00133-6  1
2005 Scholz F, Eisenthal K, Bain C, Rusling J, Lynden-Bell R, Leermakers F, Rathman J, Walker R, Cicuta P, Samec Z, Schlossman M, Kornyshev A, Urbakh M, Wennerström H, Dagastine R, et al. General discussion Faraday Discussions. 129: 353-366. DOI: 10.1039/b416303f  1
2004 Harper JB, Lynden-Bell RM. Macroscopic and microscopic properties of solutions of aromatic compounds in an ionic liquid Molecular Physics. 102: 85-94. DOI: 10.1080/00268970410001668570  1
2004 Lynden-Bell D, Lynden-Bell RM. Relaxation to a perpetually pulsating equilibrium Journal of Statistical Physics. 117: 199-209. DOI: 10.1023/B:JOSS.0000044068.53435.eb  1
2003 Patrick DL, Flanagan JF, Kohl P, Lynden-Bell RM. Atomistic molecular dynamics simulations of chemical force microscopy. Journal of the American Chemical Society. 125: 6762-73. PMID 12769587 DOI: 10.1021/ja0345367  1
2003 Zhang FS, Lynden-bell RM. Pure vibrational dephasing of triiodide in liquids and glasses Modern Physics Letters A. 18: 406-409. DOI: 10.1142/S0217732303010570  1
2003 Zhang FS, Lynden-Bell RM. Temperature and solvent dependence of vibrational relaxation of tri-iodide: A simulation study Journal of Chemical Physics. 119: 6119-6131. DOI: 10.1063/1.1603718  1
2003 Toubin C, Picaud S, Hoang PNM, Girardet C, Lynden-Bell RM, Hynes JT. Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times Journal of Chemical Physics. 118: 9814-9823. DOI: 10.1063/1.1570408  1
2003 Hanke CG, Johansson A, Harper JB, Lynden-Bell RM. Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study Chemical Physics Letters. 374: 85-90. DOI: 10.1016/S0009-2614(03)00703-6  1
2003 Hanke CG, Lynden-Bell RM. A simulation study of water-dialkylimidazolium ionic liquid mixtures Journal of Physical Chemistry B. 107: 10873-10878.  1
2003 Lynden-Bell RM. Gas-liquid interfaces of room temperature ionic liquids Molecular Physics. 101: 2625-2633.  1
2003 Zhang FS, Lynden-Bell RM. A simulation study of vibrational relaxation of I3 - in liquids Molecular Physics. 101: 1641-1649.  1
2002 Lynden-Bell RM, Atamas NA, Vasilyuk A, Hanke CG. Chemical potentials of water and organic solutes in imidazolium ionic liquids: A simulation study Molecular Physics. 100: 3225-3229. DOI: 10.1080/00268970210159488  1
2002 Ghorai PK, Yashonath S, Lynden-Bell RM. Estimation of slow diffusion rates in confined systems: CCL4 in zeolite NaA Molecular Physics. 100: 641-647. DOI: 10.1080/00268970110103147  1
2002 Murdock SE, Lynden-Bell RM, Kohanoff J, Margulis CJ, Sexton GJ. Solvation effects on equilibria: Triazoles and N-methyl piperidinol Physical Chemistry Chemical Physics. 4: 5281-5288. DOI: 10.1039/b203429h  1
2002 Murdock SE, Lynden-Bell RM, Kohanoff J, Sexton GJ. Determining the electronic structure and chemical potentials of molecules in solution Physical Chemistry Chemical Physics. 4: 3016-3021. DOI: 10.1039/b200991a  1
2002 Hanke CG, Atamas NA, Lynden-Bell RM. Solvation of small molecules in imidazolium ionic liquids: A simulation study Green Chemistry. 4: 107-111. DOI: 10.1039/b109179b  1
2002 Delle Site L, Lynden-Bell RM, Alavi A. What can classical simulators learn from ab initio simulations? Journal of Molecular Liquids. 98: 79-86. DOI: 10.1016/S0167-7322(01)00311-7  1
2002 Lynden-Bell RM, Delle Site L, Alavi A. Structures of adsorbed water layers on MgO: An ab initio study Surface Science. 496: L1-L6. DOI: 10.1016/S0039-6028(01)01669-7  1
2002 Kim YD, Lynden-Bell RM, Alavi A, Stulz J, Goodman DW. Evidence for partial dissociation of water on flat MgO(100) surfaces Chemical Physics Letters. 352: 318-322. DOI: 10.1016/S0009-2614(02)00009-X  1
2002 Lynden-Bell RM. Comment: A molecular dynamics method for simulations in the canonical ensemble Molecular Physics. 100: 189+191-198.  1
2002 Lynden-Bell RM. Comment: NpT-ensemble Monte Carlo calculations for binary liquid mixtures Molecular Physics. 100: 93+95-105.  1
2001 Rasaiah JC, Lynden-Bell RM. Computer simulation studies of the structure and dynamics of ions and non-polar solutes in water Philosophical Transactions of the Royal Society a: Mathematical, Physical and Engineering Sciences. 359: 1545-1574. DOI: 10.1098/rsta.2001.0865  1
2001 Vasilyuk AN, Lynden-Bell RM. A simulation study of films of n-hexane and n-perfluorohexane on a solid surface Molecular Physics. 99: 1407-1411. DOI: 10.1080/00268970110061810  1
2001 Bergman DL, Lynden-Bell RM. Is the hydrophobic effect unique to water? The relation between solvation properties and network structure in water and modified water models Molecular Physics. 99: 1011-1021. DOI: 10.1080/00268970110041632  1
2001 Hanke CG, Price SL, Lynden-Bell RM. Intermolecular potentials for simulations of liquid imidazolium salts Molecular Physics. 99: 801-809. DOI: 10.1080/00268970010018981  1
2001 Lozovoi AY, Alavi A, Kohanoff J, Lynden-Bell RM. Ab initio simulation of charged slabs at constant chemical potential Journal of Chemical Physics. 115: 1661-1669. DOI: 10.1063/1.1379327  1
2001 Margulis CJ, Coker DF, Lynden-Bell RM. Monte Carlo study of symmetry breaking of I3 - in aqueous solution using a multistate diabatic Hamiltonian Journal of Chemical Physics. 114: 367-376. DOI: 10.1063/1.1328757  1
2001 Margulis CJ, Coker DF, Lynden-Bell RM. Symmetry breaking of the triiodide ion in acetonitrile solution Chemical Physics Letters. 341: 557-560. DOI: 10.1016/S0009-2614(01)00548-6  1
2001 Alavi A, Lynden-Bell RM, Brown RJC. Computed vibrational wavenumbers in ammonium fluoride crystals Journal of Raman Spectroscopy. 32: 996-999. DOI: 10.1002/jrs.787  1
2001 Lynden-Bell RM, Rasaiah JC, Noworyta JP. Using simulation to study solvation in water Pure and Applied Chemistry. 73: 1721-1731.  1
2000 Smith P, Lynden-Bell RM, Smith W. The behaviour of liquid alkanes near interfaces Molecular Physics. 98: 255-260. DOI: 10.1080/002689700162685  1
2000 Chakravarty C, Lynden-Bell RM. Landau free energy curves for melting of quantum solids Journal of Chemical Physics. 113: 9239-9247. DOI: 10.1063/1.1316105  1
2000 Smith P, Lynden-Bell RM, Smith W. Surfactant structure around DNA in aqueous solution Physical Chemistry Chemical Physics. 2: 1305-1310. DOI: 10.1039/a909519e  1
2000 Delle Site L, Alavi A, Lynden-Bell RM. The structure and spectroscopy of monolayers of water on MgO: An ab initio study Journal of Chemical Physics. 113: 3344-3350.  1
2000 Alavi A, Lynden-Bell RM, Brown RJC. The pathway to reorientation in ammonium fluoride Chemical Physics Letters. 320: 487-491.  1
1999 Somasundaram T, Lynden-Bell RM, Patterson CH. The passage of gases through the liquid water/vapour interface: A simulation study Physical Chemistry Chemical Physics. 1: 143-148. DOI: 10.1039/a805067h  1
1999 Katagiri M, Patrick DL, Lynden-Bell RM. Molecular dynamics simulation of atomic force microscopy: imaging single-atom vacancies on Ag(001) and Pt(001) Surface Science. 431: 260-268. DOI: 10.1016/S0039-6028(99)00462-8  1
1999 Somasundaram T, Lynden-Bell RM. The velocity distribution of desorbing molecules: A simulation study Molecular Physics. 97: 1029-1034.  1
1999 Lynden-Bell D, Lynden-Bell RM. Exact general solutions to extraordinary N-body problems Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 455: 475-489.  1
1999 Toubin C, Picaud S, Hoang PNM, Girardet C, Lynden-Bell RM. Transfer of a pollutant molecule through a water film supported by MgO(100): Free energy profiles Surface Review and Letters. 6: 1265-1274.  1
1999 Smith P, Lynden-Bell RM, Earnshaw JC, Smith W. The surface-ordered phase of liquid heptadecane: A simulation study Molecular Physics. 96: 249-257.  1
1999 Smith P, Lynden-Bell RM. Determining surface free energies of crystals with highly disordered surfaces from simulation Molecular Physics. 96: 1027-1032.  1
1999 Lynden-Bell D, Lynden-Bell RM. Exact quantum solutions of extraordinary AT-body problems Proceedings of the Royal Society a: Mathematical, Physical and Engineering Sciences. 455: 3261-3284.  1
1999 Delle Site L, Alavi A, Lynden-Bell RM. The electrostatic properties of water molecules in condensed phases: An ab initio study Molecular Physics. 96: 1683-1693.  1
1999 Marmier A, Hoang PNM, Girardet C, Lynden-Bell RM. Transfer of a pollutant molecule through a water film on a single crystal surface Journal of Chemical Physics. 111: 4862-4864.  1
1999 Somasundaram T, Lynden-Bell RM. Permeability of gases through foams Computer Physics Communications. 121: 738.  1
1999 Somasundaram T, In Het Panhuis M, Lynden-Bell RM, Patterson CH. A simulation study of the kinetics of passage of CO2 and N2 through the liquid/vapor interface of water Journal of Chemical Physics. 111: 2190-2199.  1
1999 Alavi A, Lynden-Bell RM, Brown RJC. Displacement and distortion of the ammonium ion in rotational transition states in ammonium fluoride and ammonium chloride Journal of Chemical Physics. 110: 5861-5865.  1
1998 Lynden-Bell RM, Kosloff R, Ruhman S, Danovich D, Vala J. Does solvation cause symmetry breaking in the I3 - ion in aqueous solution? Journal of Chemical Physics. 109: 9928-9937. DOI: 10.1063/1.477659  1
1998 Marmier A, Hoang PNM, Picaud S, Girardet C, Lynden-Bell RM. A molecular dynamics study of the structure of water layers adsorbed on MgO(100) Journal of Chemical Physics. 109: 3245-3254. DOI: 10.1063/1.476915  1
1998 Koneshan S, Lynden-Bell RM, Rasaiah JC. Friction coefficients of ions in aqueous solution at 25 °C Journal of the American Chemical Society. 120: 12041-12050. DOI: 10.1021/ja981997x  1
1998 Alavi A, Lynden-Bell RM, Willis PA, Swainson IP, Brown RJC. An ab initio and neutron diffraction study of ammonium chloride Canadian Journal of Chemistry. 76: 1581-1587.  1
1998 In Het Panhuis M, Patterson CH, Lynden-Bell RM. A molecular dynamics study of carbon dioxide in water: Diffusion, structure and thermodynamics Molecular Physics. 94: 963-972.  1
1998 Koneshan S, Rasaiah JC, Lynden-Bell RM, Lee SH. Solvent structure, dynamics, and ion mobility in aqueous solutions at 25 °C Journal of Physical Chemistry B. 102: 4193-4204.  1
1997 Finbow GM, Lynden-Bell RM, Mcdonald IR. Atomistic simulation of the stretching of nanoscale metal wires Molecular Physics. 92: 705-714.  1
1997 Lynden-Bell RM, Rasaiah JC. From hydrophobic to hydrophilic behaviour: A simulation study of solvation entropy and free energy of simple solutes Journal of Chemical Physics. 107: 1981-1991.  1
1997 Lynden-Bell D, Lynden-Bell RM. On the shapes of newton's revolving orbits Notes and Records of the Royal Society. 51: 195-198.  1
1997 Patrick DL, Lynden-Bell RM. Atomistic simulations of fluid structure and solvation forces in atomic force microscopy Surface Science. 380: 224-244.  1
1996 Lynden-Bell RM, Rasaiah JC. Mobility and solvation of ions in channels Journal of Chemical Physics. 105: 9266-9280.  1
1995 Deyirmenjian VB, Heine V, Payne MC, Milman V, Lynden-Bell RM, Finnis MW. Ab initio atomistic simulation of the strength of defective aluminum and tests of empirical force models. Physical Review. B, Condensed Matter. 52: 15191-15207. PMID 9980873 DOI: 10.1103/PhysRevB.52.15191  1
1995 Lynden-Bell RM. A simulation study of induced disorder, failure and fracture of perfect metal crystals under uniaxial tension Journal of Physics: Condensed Matter. 7: 4603-4624. DOI: 10.1088/0953-8984/7/24/003  1
1995 Lynden-Bell RM. Landau free energy, landau entropy, phase transitions and limits of metastability in an analytical model with a variable number of degrees of freedom Molecular Physics. 86: 1353-1373. DOI: 10.1080/00268979500102791  1
1994 Lynden-Bell RM. Computer simulations of fracture at the atomic level. Science (New York, N.Y.). 263: 1704-5. PMID 17795375 DOI: 10.1126/science.263.5154.1704  1
1994 Gelb LD, Lynden-Bell RM. Effects of atomic-force-microscope tip characteristics on measurement of solvation-force oscillations. Physical Review. B, Condensed Matter. 49: 2058-2066. PMID 10011011 DOI: 10.1103/PhysRevB.49.2058  1
1994 Lynden-Bell RM, Michel KH. Translation-rotation coupling, phase transitions, and elastic phenomena in orientationally disordered crystals Reviews of Modern Physics. 66: 721-762. DOI: 10.1103/RevModPhys.66.721  1
1994 Ferrario M, Lynden-Bell RM, McDonald IR. Structural fluctuations and the order-disorder phase transition in calcite Journal of Physics: Condensed Matter. 6: 1345-1358. DOI: 10.1088/0953-8984/6/7/007  1
1994 Brown RJC, Lynden-Bell RM. Computer simulation study of the disorder in ammonium perrhenate Journal of Physics Condensed Matter. 6: 9903-9928. DOI: 10.1088/0953-8984/6/46/010  1
1994 Brown RJC, Lynden-Bell RM, McDonald IR, Dove MT. Crystalline potassium perrhenate: a study using molecular dynamics and lattice dynamics Journal of Physics Condensed Matter. 6: 9895-9902. DOI: 10.1088/0953-8984/6/46/009  1
1994 Lynden-Bell RM, Wales DJ. Free energy barriers to melting in atomic clusters The Journal of Chemical Physics. 101: 1460-1476.  1
1993 Gerstein M, Lynden-Bell RM. What is the natural boundary of a protein in solution? Journal of Molecular Biology. 230: 641-50. PMID 8464069 DOI: 10.1006/jmbi.1993.1175  1
1993 Lynden-Bell RM, Van Duijneveldt JS, Frenkel D. Free energy changes on freezing and melting ductile metals Molecular Physics. 80: 801-814. DOI: 10.1080/00268979300102661  1
1993 Lynden-Bell RM. The orientational order/disorder phase transition of urea-paraffin inclusion compounds Molecular Physics. 79: 313-321. DOI: 10.1080/00268979300101231  1
1993 Todd BD, Lynden-Bell RM. Surface and bulk properties of metals modelled with Sutton-Chen potentials Surface Science. 281: 191-206. DOI: 10.1016/0039-6028(93)90868-K  1
1993 Gelb LD, Lynden-Bell RM. Force oscillations and liquid structure in simulations of an atomic force microscope tip in a liquid Chemical Physics Letters. 211: 328-332. DOI: 10.1016/0009-2614(93)87067-D  1
1993 Blumberg Selinger RL, Lynden-Bell RM, Gelbart WM. Stress-induced failure and melting of ideal solids The Journal of Chemical Physics. 98: 9808-9818.  1
1993 Gerstein M, Lynden-Bell RM. Simulation of water around a model protein helix. 1. Two-dimensional projections of solvent structure Journal of Physical Chemistry. 97: 2982-2990.  1
1993 Gerstein M, Lynden-Bell RM. Simulation of water around a model protein helix. 2. The relative contributions of packing, hydrophobicity, and hydrogen bonding Journal of Physical Chemistry. 97: 2991-2999.  1
1992 Etxebarria I, Lynden-Bell RM, Perez-Mato JM. Molecular-dynamics study of successive phase transitions in potassium selenate. Physical Review. B, Condensed Matter. 46: 13687-13696. PMID 10003424 DOI: 10.1103/PhysRevB.46.13687  1
1992 Lynden-Bell RM. The fracture of perfect crystals under uniaxial tension at high temperatures Journal of Physics: Condensed Matter. 4: 2127-2138. DOI: 10.1088/0953-8984/4/9/007  1
1992 Hammonds KD, Lynden-Bell RM. A computational study of metal stepped surfaces Surface Science. 278: 437-456. DOI: 10.1016/0039-6028(92)90679-Z  1
1992 Variyar JE, Kivelson D, Lynden-Bell RM. Velocity autocorrelation functions of particles and clusters in liquids. A possible criterion for correlation length of incipient glass formation The Journal of Chemical Physics. 97: 8549-8560.  1
1991 Xu H, Lynden-Bell RM. The onset of disorder on a surface with a step Molecular Physics. 73: 1401-1417. DOI: 10.1080/00268979100102001  1
1991 Lynden-Bell RM, Woodcock LV, Clarke JHR, Tildesley DJ, Yarwood J, Noble RD, Gubbins KE, Walton JPRB, MacElroy JMD, Pozhar LA, Petropoulos JH, Matthews GP, Morantz DJ, Siepmann JI, Klein ML, et al. General discussion Journal of the Chemical Society, Faraday Transactions. 87: 2063-2071. DOI: 10.1039/FT9918702063  1
1991 Brown MP, Buckett J, Harding MM, Lynden-Bell RM, Mays MJ, Woulfe KW. 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) Journal of the Chemical Society, Dalton Transactions. 3097-3102. DOI: 10.1039/DT9910003097  1
1991 Lynden-Bell RM. Migration of adatoms on the (100) surface of face-centred-cubic metals Surface Science. 259: 129-138. DOI: 10.1016/0039-6028(91)90531-V  1
1991 Lynden-Bell RM. The interaction of crystal surfaces in close proximity Surface Science. 244: 266-276. DOI: 10.1016/0039-6028(91)90500-R  1
1991 Storozhev AV, Lynden-Bell RM. Rotational relaxation in dense gases Chemical Physics Letters. 183: 316-320. DOI: 10.1016/0009-2614(91)80069-A  1
1990 Lynden-Bell RM. A computer simulation investigation of surface disordering in adsorbed multilayers Surface Science. 230: 311-322. DOI: 10.1016/0039-6028(90)90040-F  1
1989 Lynden-Bell RM, Ferrario M, McDonald IR, Salje E. A molecular dynamics study of orientational disordering in crystalline sodium nitrate Journal of Physics: Condensed Matter. 1: 6523-6542. DOI: 10.1088/0953-8984/1/37/002  1
1989 Lynden-Bell RM, Stone AJ. Reorientational correlation functions, quaternions and wigner rotation matrices Molecular Simulation. 3: 271-281. DOI: 10.1080/08927028908031380  1
1989 Guldbrand LE, Forester TR, Lynden-Bell RM. Distribution and dynamics of mobile ions in systems of ordered B-DNA Molecular Physics. 67: 473-493. DOI: 10.1080/00268978900101231  1
1989 Evans DJ, Lynden-Bell RM, Morriss GP. Steady-state structure and dynamics of a two-dimensional conducting fluid Molecular Physics. 67: 209-216. DOI: 10.1080/00268978900101031  1
1989 Westlund PO, Lynden-Bell RM. Separation of vibrational dephasing and reorientational contributions to the infrared and Raman lineshapes in a simulation of MeCN Chemical Physics Letters. 154: 67-70. DOI: 10.1016/0009-2614(89)87439-1  1
1988 Evans DJ, Lynden-Bell RM. Nonlinear Burnett coefficients. Physical Review. A. 38: 5249-5252. PMID 9900245 DOI: 10.1103/PhysRevA.38.5249  1
1987 Lynden-Bell RM, Westlund PO. The effects of pressure and temperature on vibrational dephasing in a simulation of liquid CH3CN Molecular Physics. 61: 1541-1547. DOI: 10.1080/00268978700101971  1
1987 Westlund PO, Lynden-Bell RM. A study of vibrational dephasing of the a1 modes of CH3CN in a computer simulation of the liquid phase Molecular Physics. 60: 1189-1209. DOI: 10.1080/00268978700100791  1
1987 Ferrario M, Klein ML, Lynden-Bell RM, McDonald IR. A molecular dynamics study of the rotator phase of t-butyl bromide Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 83: 2097-2111. DOI: 10.1039/F29878302097  1
1987 Zoppi M, Buckingham AD, Keyes T, De Schepper IM, Huijts RA, Yarwood J, Van Der Elsken J, Gerschel A, Dorfmüller T, Jonas J, Sampoli M, Baglin F, Steele D, Pick RM, Versmold H, ... ... Lynden-Bell RM, et al. General discussion Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 83: 1921-1937. DOI: 10.1039/F29878301921  1
1987 Westlund PO, Lynden-Bell RM. A molecular dynamics study of the intermolecular spin-spin dipole-dipole correlation function of liquid acetonitrile Journal of Magnetic Resonance (1969). 72: 522-531. DOI: 10.1016/0022-2364(87)90156-9  1
1986 Dove MT, Lynden-Bell RM. A simulation study of the disordered phase of cbr4: Ii. collective properties and rotation-translation coupling Journal of Physics C: Solid State Physics. 19: 3343-3363. DOI: 10.1088/0022-3719/19/18/009  1
1986 Dove MT, Lynden-Bell RM. A model of the paraelectric phase of thiourea Philosophical Magazine B: Physics of Condensed Matter; Statistical Mechanics, Electronic, Optical and Magnetic Properties. 54: 443-463. DOI: 10.1080/13642818608236861  1
1986 Lynden-Bell RM, Hutchinson DJC, Doyle MJ. Translational molecular motion and cages in computer molecular liquids Molecular Physics. 58: 307-315. DOI: 10.1080/00268978600101171  1
1986 Lynden-Bell RM, Madden PA, Stott DT, Tough RJ. Reorientational motion in liquid MeCN and its relationship to the properties of the intermolecular torques Molecular Physics. 58: 193-212. DOI: 10.1080/00268978600101071  1
1986 Evans R, Fisher ME, Widom B, Lynden-Bell RM, Phillips P, O'Shea SF, Thomas RK, Morrison JA, Nicholson D, Suzanne J, Chan MHW, Inaba A, Rowlinson JS, Klein ML, Van Swol F, et al. General discussion Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 82: 1817-1869. DOI: 10.1039/F29868201817  1
1986 Tildesley DJ, Lynden-Bell RM. Motion in surface layers of N2 on graphite Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 82: 1605-1619. DOI: 10.1039/F29868201605  1
1986 Lynden-Bell RM, Impey RW, Klein ML. Investigation of the lattice vibrations of solid NaNO2 by means of molecular dynamics calculations Chemical Physics. 109: 25-33. DOI: 10.1016/0301-0104(86)80181-1  1
1985 Lynden-Bell RM, Talbot J, Tildesley DJ, Steele WA. Reorientation of N2 adsorbed on graphite in various computer simulated phases Molecular Physics. 54: 183-195. DOI: 10.1080/00268978500100151  1
1984 Böhm HJ, Lynden-Bell RM, Madden PA, McDonald IR. Molecular motion in a model of liquid acetonitrile Molecular Physics. 51: 761-777. DOI: 10.1080/00268978400100501  1
1984 Doddrell DM, Brooks W, Field J, Lynden-Bell RM. Generation of heteronuclear 13C1H chemical-shift correlations using soft pulses Journal of Magnetic Resonance (1969). 59: 384-398. DOI: 10.1016/0022-2364(84)90072-6  1
1984 Lynden-Bell RM, Klein ML, McDonald IR. Phonon-orientational coupling in sodium nitrite Zeitschrift FüR Physik B Condensed Matter. 54: 325-331. DOI: 10.1007/BF01485830  1
1984 Heine V, Lynden-Bell RM, McConnell JDC, McDonald IR. The structure of the incommensurate modulated phase of NaNO2 Zeitschrift FüR Physik B Condensed Matter. 56: 229-239. DOI: 10.1007/BF01304176  1
1984 Lynden-Bell RM, Steele WA. A model for strongly hindered molecular reorientation in liquids Journal of Physical Chemistry. 88: 6514-6518.  1
1983 Lynden-Bell RM, McDonald IR, Klein ML. Analysis of translation-rotation coupling in an orientationally disordered ionic crystal Molecular Physics. 48: 1093-1117. DOI: 10.1080/00268978300100781  1
1983 Lynden-Bell RM, Bulsing JM, Doddrell DM. A vector description of multiple-quantum coherence in AXn spin systems Journal of Magnetic Resonance (1969). 55: 128-144. DOI: 10.1016/0022-2364(83)90282-2  1
1983 Doddrell DM, Lynden-Bell RM, Bulsing JM. Use of a purging pulse to eliminate phase distortions in heteronuclear multiple pulse NMR spectra of liquids Journal of Magnetic Resonance (1969). 53: 355-359. DOI: 10.1016/0022-2364(83)90039-2  1
1982 Lynden-Bell RM, McDonald IR. Tests of models of molecular reorientation in liquids Chemical Physics Letters. 89: 105-109. DOI: 10.1016/0009-2614(82)83383-6  1
1981 Lynden-Bell RM, McDonald IR. Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules Molecular Physics. 43: 1429-1440. DOI: 10.1080/00268978100102181  1
1980 Albrand PS, Randall EW, Lynden-Bell RM. Transient oscillations in heteronuclear double resonance spectra of coupled systems Journal of Magnetic Resonance (1969). 37: 61-73. DOI: 10.1016/0022-2364(80)90094-3  1
1980 Lynden-Bell RM. Are models necessary to describe molecular reorientation of symmetrical molecules? Chemical Physics Letters. 70: 477-480. DOI: 10.1016/0009-2614(80)80108-4  1
1978 Lynden-Bell RM. Coupling of vibrational and reorientational dephasing in mobile liquids Molecular Physics. 36: 1529-1537. DOI: 10.1080/00268977800102551  1
1978 Haslinger E, Lynden-Bell RM. Investigation of the internal rotation of methyl groups by T1 relaxation measurements Journal of Magnetic Resonance (1969). 31: 33-40. DOI: 10.1016/0022-2364(78)90166-X  1
1977 Lynden-Bell RM. Vibrational relaxation and line widths in liquids dephasing by intermolecular forces Molecular Physics. 33: 907-921. DOI: 10.1080/00268977700100831  1
1977 Buckingham AD, Gerschel A, Wyllie G, Alexiewicz W, Buchert J, Kielich S, Williams G, Yarwood J, Rowlinson JS, Berne BJ, Frenkel D, Dorfmüller T, Searby G, Davies M, Vaughan JM, ... ... Lynden-Bell RM, et al. General discussion Faraday Symposia of the Chemical Society. 11: 148-180. DOI: 10.1039/FS9771100148  1
1977 Bain AD, Lynden-Bell RM, Litchman WM, Randall EW. Heteronuclear double resonance: Theoretical description of intensity effects in A(X2) and A(X3) systems Journal of Magnetic Resonance (1969). 25: 315-326. DOI: 10.1016/0022-2364(77)90026-9  1
1977 Lynden-Bell RM, Tabisz GC. Vibrational relaxation and line widths in liquids: a comparison of theory and experiment Chemical Physics Letters. 46: 175-177. DOI: 10.1016/0009-2614(77)85190-7  1
1976 Madden PA, Lynden-Bell RM. Theory of vibrational linewidths Chemical Physics Letters. 38: 163-165. DOI: 10.1016/0009-2614(76)80281-3  1
1975 Bain AD, Lynden-Bell RM. The relaxation matrices for AX2 and AX3 nuclear spin systems Molecular Physics. 30: 325-356. DOI: 10.1080/00268977500101981  1
1975 Lynden-Bell RM. Nuclear spin relaxation by symmetric and antisymmetric components of the shielding tensor Molecular Physics. 29: 301-303. DOI: 10.1080/00268977500100201  1
1975 Benton JE, Lynden-Bell RM. Simulated electron spin resonance spectra of nitroxide spin labels in slowly reorienting rod shaped molecules Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 71: 807-811. DOI: 10.1039/F29757100807  1
1973 Lynden-Bell RM. The spin density matrix for slowly reorienting molecules in zero field Molecular Physics. 26: 979-987. DOI: 10.1080/00268977300102231  1
1973 Lynden-Bell RM, Mather GG, Pidcock A. Proton and phosphorus-31 nuclear magnetic resonance spectra of octahedral trisdimethylphenylphosphine complexes with meridional configurations Journal of the Chemical Society, Dalton Transactions. 715-718. DOI: 10.1039/DT9730000715  1
1972 Lowe DJ, Lynden-Bell RM, Bray RC. Spin-spin interaction between molybdenum and one of the iron-sulphur systems of xanthine oxidase and its relevance to the enzymic mechanism. The Biochemical Journal. 130: 239-49. PMID 4347785  1
1972 Lynds L, Crawpord JE, Lynden-Bell RM, Chan SI. Electron spin relaxation studies of manganese(II) complexes in acetonitrile The Journal of Chemical Physics. 57: 5216-5230.  1
1971 Lynden-Bell RM. A density matrix formulation of the theory of magnetic resonance spectra in slowly reorienting systems Molecular Physics. 22: 837-851. DOI: 10.1080/00268977100103161  1
1971 Lynden-Bell RM. Perturbation of the angular correlation of γ-rays by molecular motion Molecular Physics. 21: 891-900. DOI: 10.1080/00268977100102031  1
1971 Lynden-Bell RM. The line shapes of a tumbling triplet Molecular Physics. 21: 689-699. DOI: 10.1080/00268977100101841  1
1971 Lynden-Bell RM, Nixon JF, Roberts J, Swain JR, McFarlane W. Magnitude and signs of phosphorus-phosphorus coupling constants, 2JPMP′, in transition metal-phosphine complexes Inorganic and Nuclear Chemistry Letters. 7: 1187-1189. DOI: 10.1016/0020-1650(71)80063-6  1
1970 Velenik A, Lynden-Bell RM. Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules Molecular Physics. 19: 371-381. DOI: 10.1080/00268977000101371  1
1970 Lynden-Bell RM, Nixon JF, Schmutzler R. Phosphorus-fluorine compounds. Part XVIII. Some N.m.r. observations on tetrakis(fluorophosphine) and mixed fluorophosphine-carbonyl complexes of nickel(0) Journal of the Chemical Society a: Inorganic, Physical, and Theoretical Chemistry. 565-567. DOI: 10.1039/J19700000565  1
1970 Johnson TR, Lynden-Bell RM, Nixon JF. Phosphorus-phosphorus coupling constants in cis-and trans-isomers of bis(trifluorophosphine)chromium tetracarbonyl Journal of Organometallic Chemistry. 21: P15-P16. DOI: 10.1016/S0022-328X(00)90578-3  1
1968 Lynden-Bell RM. The [AX]4 nuclear spin system with tetrahedral symmetry Molecular Physics. 15: 523-531. DOI: 10.1080/00268976800101421  1
1967 Lynden-Bell RM, Saunders VP. Substituent effects on the rotational strength of the n-π* carbonyl band Journal of the Chemical Society a: Inorganic, Physical, and Theoretical Chemistry. 2061-2066. DOI: 10.1039/J19670002061  1
1967 Lynden-Bell RM. Chapter 4 The calculation of line shapes by density matrix methods Progress in Nuclear Magnetic Resonance Spectroscopy. 2: 163-204.  1
1963 Lynden-Bell RM. The n.m.r. spectra of the a3*a3*x2 and the a4x2 systems Molecular Physics. 6: 601-608. DOI: 10.1080/00268976300100701  1
1963 Lynden-Bell RM. The n.m.r. spectrum of 13c-substituted vinyl bromide Molecular Physics. 6: 537-539. DOI: 10.1080/00268976300100611  1
1962 Lynden-Bell RM, Mcconnell HM. Theory of paramagnetic excitons in solid free radicals The Journal of Chemical Physics. 37: 794-798.  1
1961 Lynden-Bell RM. High resolution nuclear magnetic resonance spectra of diphosphine and monophosphine Transactions of the Faraday Society. 57: 888-892. DOI: 10.1039/TF9615700888  1
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