Ruth Lynden-Bell
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British chemist and educator
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Chemistry
Ruth Lynden-Bell's Degrees
- PhD Chemistry University of Oxford
- Bachelors Chemistry University of Oxford
Why Is Ruth Lynden-Bell Influential?
(Suggest an Edit or Addition)According to Wikipedia, Ruth Marion Lynden-Bell, FRS is a British chemist, emeritus professor of Queen's University Belfast and the University of Cambridge, and acting President of Murray Edwards College, Cambridge from 2011 to 2013.
Ruth Lynden-Bell's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Solvent Structure, Dynamics, and Ion Mobility in Aqueous Solutions at 25 °C (1998) (745)
- A Simulation Study of Water−Dialkylimidazolium Ionic Liquid Mixtures (2003) (285)
- Intermolecular potentials for simulations of liquid imidazolium salts (2001) (267)
- Ghostly streams from the formation of the Galaxy’s halo (1995) (228)
- Simulations of ionic liquids, solutions, and surfaces. (2007) (228)
- Solvation of small molecules in imidazolium ionic liquids: a simulation study (2002) (213)
- From hydrophobic to hydrophilic behaviour: A simulation study of solvation entropy and free energy of simple solutes (1997) (210)
- Ab initio molecular dynamics simulation of a room temperature ionic liquid. (2005) (199)
- MOBILITY AND SOLVATION OF IONS IN CHANNELS (1996) (187)
- Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study (2003) (181)
- Structure and dynamics of a confined ionic liquid. Topics of relevance to dye-sensitized solar cells. (2005) (175)
- Ab initio simulation of charged slabs at constant chemical potential (2001) (169)
- High-Resolutjon nuclear-magnetic-resonance spectra of hydrocarbon groupings VI. The hydrogen spectra of carbon-13 substituted ethane, ethylene and acetylene (1962) (160)
- Vibrational relaxation and line widths in liquids dephasing by intermolecular forces (1977) (159)
- On the negative specific heat paradox (1977) (150)
- Surface and bulk properties of metals modelled with Sutton-Chen potentials (1993) (130)
- Translation-rotation coupling, phase transitions, and elastic phenomena in orientationally disordered crystals (1994) (125)
- Polarization relaxation in an ionic liquid confined between electrified walls. (2007) (125)
- Gas—liquid interfaces of room temperature ionic liquids (2003) (124)
- Electrode screening by ionic liquids. (2012) (124)
- Simulation of the surface structure of butylmethylimidazolium ionic liquids. (2006) (118)
- A model for strongly hindered molecular reorientation in liquids (1984) (114)
- Probing the neutral graphene-ionic liquid interface: insights from molecular dynamics simulations. (2012) (113)
- A computational investigation of thermodynamics, structure, dynamics and solvation behavior in modified water models. (2008) (111)
- Free energy barriers to melting in atomic clusters (1994) (99)
- Is a Stern and diffuse layer model appropriate to ionic liquids at surfaces? (2013) (95)
- Simulation of interfaces between room temperature ionic liquids and other liquids. (2005) (95)
- Theory of vibrational linewidths (1976) (91)
- The electrostatic properties of water molecules in condensed phases: an ab initio study (1999) (89)
- Chemical potentials of water and organic solutes in imidazolium ionic liquids: a simulation study (2002) (88)
- The relaxation matrices for AX2 and AX3 nuclear spin systems (1975) (84)
- Macroscopic and microscopic properties of solutions of aromatic compounds in an ionic liquid (2004) (81)
- Computational investigation of order, structure, and dynamics in modified water models. (2005) (81)
- High resolution nuclear magnetic resonance spectra of diphosphine and monophosphine (1961) (78)
- ATOMISTIC SIMULATION OF THE STRETCHING OF NANOSCALE METAL WIRES (1997) (74)
- Free energy changes on freezing and melting ductile metals (1993) (73)
- Friction Coefficients of Ions in Aqueous Solution at 25 °C (1998) (70)
- Computer simulation studies of the structure and dynamics of ions and non–polar solutes in water (2001) (67)
- Spin-spin interaction between molybdenum and one of the iron-sulphur systems of xanthine oxidase and its relevance to the enzymic mechanism. (1972) (66)
- Molecular motion in a model of liquid acetonitrile (1984) (65)
- Screening of pairs of ions dissolved in ionic liquids. (2010) (62)
- The Structure and Spectroscopy of Monolayers of Water on MgO: An ab initio Study (2000) (62)
- Paramagnetic Excitons in Solid Free Radicals (1962) (62)
- Chapter 4 The calculation of line shapes by density matrix methods (1967) (60)
- Can marcus theory be applied to redox processes in ionic liquids? A comparative simulation study of dimethylimidazolium liquids and acetonitrile. (2007) (59)
- The surface structure of ionic liquids: comparing simulations with x-ray measurements. (2006) (59)
- Molecular dynamics simulations of the structure of the graphene-ionic liquid/alkali salt mixtures interface. (2014) (54)
- A density matrix formulation of the theory of magnetic resonance spectra in slowly reorienting systems (1971) (54)
- Theory of Paramagnetic Excitons in Solid Free Radicals (1962) (54)
- A study of vibrational dephasing of the A 1 modes of CH3CN in a computer simulation of the liquid phase (1987) (53)
- Molecular dynamics simulation of the behaviour of water in nano-confined ionic liquid–water mixtures (2016) (52)
- Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules (1981) (52)
- Screening of Ion–Graphene Electrode Interactions by Ionic Liquids: The Effects of Liquid Structure (2014) (51)
- A simulation study of induced disorder, failure and fracture of perfect metal crystals under uniaxial tension (1995) (51)
- Solvation structure and transport of acidic protons in ionic liquids: a first-principles simulation study. (2006) (46)
- Does marcus theory apply to redox processes in ionic liquids? A simulation study (2007) (45)
- The N.M.R. spectra of the A3*A3*X2 and the A4X2 systems (1963) (42)
- Evidence for partial dissociation of water on flat MgO(100) surfaces (2002) (42)
- Chemical shift calculations for carbon, nitrogen and oxygen in simple molecules (1970) (42)
- 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 (2015) (42)
- A molecular dynamics study of the structure of water layers adsorbed on MgO(100) (1998) (41)
- The passage of gases through the liquid water/vapour interface: a simulation study (1999) (40)
- A molecular dynamics study of orientational disordering in crystalline sodium nitrate (1989) (40)
- Computer simulations of fracture at the atomic level. (1994) (39)
- Solvation in modified water models: towards understanding hydrophobic effects (2006) (39)
- Does solvation cause symmetry breaking in the I3− ion in aqueous solution? (1998) (38)
- Clusters, liquids, and crystals of dialkyimidazolium salts. A combined perspective from ab initio and classical computer simulations. (2007) (36)
- Molecular origin of high free energy barriers for alkali metal ion transfer through ionic liquid-graphene electrode interfaces. (2016) (35)
- Analysis of translation-rotation coupling in an orientationally disordered ionic crystal (1983) (34)
- Using simulation to study solvation in water (2001) (34)
- Simulations of imidazolium ionic liquids: when does the cation charge distribution matter? (2009) (32)
- A computational study of metal stepped surfaces (1992) (31)
- Symmetry breaking of the triiodide ion in acetonitrile solution (2001) (31)
- Is the hydrophobic effect unique to water? The relation between solvation properties and network structure in water and modified water models (2001) (31)
- What is the natural boundary of a protein in solution? (1993) (31)
- Migration of adatoms on the (100) surface of face-centred-cubic metals (1991) (31)
- A vector description of multiple-quantum coherence in AXn spin systems (1983) (30)
- The orientational order/disorder phase transition of urea-paraffin inclusion compounds (1993) (30)
- The line shapes of the E.S.R. spectrum of a system of interacting triplets (1964) (29)
- 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. (2014) (29)
- Density functional theory study of tetrathiafulvalene and thianthrene in acetonitrile: structure, dynamics, and redox properties. (2006) (29)
- Structures of adsorbed water layers on MgO: an ab initio study (2002) (28)
- Coupling of vibrational and reorientational dephasing in mobile liquids (1978) (28)
- The surface-ordered phase of liquid heptadecane: a simulation study (1999) (27)
- Size-dependent maximum in ion conductivity: the levitation effect provides an alternative explanation. (2005) (27)
- Distribution and dynamics of mobile ions in systems of ordered B-DNA (1989) (27)
- Solvent-induced symmetry breaking. (2003) (27)
- Phase diagrams and surface properties of modified water models (2007) (26)
- Reorientational Correlation Functions, Quaternions and Wigner Rotation Matrices (1989) (26)
- Hydrogen bond strength and network structure effects on hydration of non-polar molecules. (2011) (26)
- The effects of pressure and temperature on vibrational dephasing in a simulation of liquid CH3CN (1987) (25)
- Exact general solutions to extraordinary N–body problems (1998) (24)
- Atomistic molecular dynamics simulations of chemical force microscopy. (2003) (24)
- Translational molecular motion and cages in computer molecular liquids (1986) (24)
- Landau free energy, Landau entropy, phase transitions and limits of metastability in an analytical model with a variable number of degrees of freedom (1995) (24)
- A simulation study of the kinetics of passage of CO2 and N2 through the liquid/vapor interface of water (1999) (24)
- Properties of liquids made from modified water models (2010) (23)
- Structural fluctuations and the order-disorder phase transition in calcite (1994) (23)
- A Monte Carlo study of symmetry breaking of I3− in aqueous solution using a multistate diabatic Hamiltonian (2001) (23)
- A molecular dynamics study of the intermolecular spin-spin dipole-dipole correlation function of liquid acetonitrile (1987) (22)
- The N.M.R. spectrum of C-substituted vinyl bromide (1963) (21)
- Perturbation of the angular correlation of γ-rays by molecular motion (1971) (21)
- Atomistic simulations of fluid structure and solvation forces in atomic force microscopy (1997) (21)
- Investigation of the local structure of mixtures of an ionic liquid with polar molecular species through molecular dynamics: cluster formation and angular distributions. (2012) (21)
- Stress‐induced failure and melting of ideal solids (1993) (21)
- Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times (2003) (20)
- An OHD-RIKES and simulation study comparing a benzylmethylimidazolium ionic liquid with an equimolar mixture of dimethylimidazolium and benzene. (2015) (20)
- Heteronuclear double resonance: Theoretical description of intensity effects in A(X2) and A(X3) systems (1977) (20)
- Vibrational relaxation and line widths in liquids: a comparison of theory and experiment (1977) (20)
- The effect of molecular reorientation on the lineshapes of degenerate vibrations in infra-red and Raman spectra of liquids (1976) (20)
- Are models necessary to describe molecular reorientation of symmetrical molecules (1980) (19)
- Landau free energy curves for melting of quantum solids (2000) (19)
- The line shapes of a tumbling triplet (1971) (19)
- Nuclear spin relaxation by symmetric and antisymmetric components of the shielding tensor (1975) (19)
- Investigation of the internal rotation of methyl groups by T1 relaxation measurements (1978) (19)
- Investigation of the lattice vibrations of solid NaNO2 by means of molecular dynamics calculations (1986) (19)
- Interactions of triiodide cluster ion with solvents (2005) (18)
- Redox potentials and screening in ionic liquids: effects of sizes and shapes of solute ions. (2008) (18)
- A simulation study of the disordered phase of CBr4. II. Collective properties and rotation-translation coupling (1986) (17)
- The [AX]4 nuclear spin system with tetrahedral symmetry (1968) (17)
- The structure of the incommensurate modulated phase of NaNO2 (1984) (16)
- Reorientational motion in liquid MeCN and its relationship to the properties of the intermolecular torques (1986) (16)
- Velocity autocorrelation functions of particles and clusters in liquids. A possible criterion for correlation length of incipient glass formation (1992) (16)
- A computer simulation investigation of surface disordering in adsorbed multilayers (1990) (15)
- Molecular dynamics simulations of the structure and single-particle dynamics of mixtures of divalent salts and ionic liquids. (2015) (15)
- Steady-state structure and dynamics of a two-dimensional conducting fluid (1989) (14)
- Reorientation of N2 adsorbed on graphite in various computer simulated phases (1985) (14)
- Force oscillations and liquid structure in simulations of an atomic force microscope tip in a liquid (1993) (14)
- Towards understanding water: simulation of modified water models (2010) (14)
- Temperature and solvent dependence of vibrational relaxation of tri-iodide: A simulation study (2003) (14)
- Use of a purging pulse to eliminate phase distortions in heteronuclear multiple pulse NMR spectra of liquids (1983) (13)
- Simulation of water around a model protein helix. 1. Two-dimensional projections of solvent structure (1993) (13)
- Surfactant structure around DNA in aqueous solution (2000) (13)
- Negative heat capacities do occur. Comment on “Critical analysis of negative heat capacities in nanoclusters” by Michaelian K. and Santamaría-Holek I. (2008) (13)
- Nonlinear Relaxation in Redox Processes in Ionic and Polar Liquids (2008) (13)
- Displacement and distortion of the ammonium ion in rotational transition states in ammonium fluoride and ammonium chloride (1999) (13)
- The interaction of crystal surfaces in close proximity (1991) (12)
- Solvent-induced symmetry breaking: varying solvent strength. (2005) (11)
- Phonon-orientational coupling in sodium nitrite (1984) (11)
- Determining surface free energies of crystals with highly disordered surfaces from simulation (1999) (11)
- Phosphorus–fluorine compounds. Part XVIII. Some N.m.r. observations on tetrakis(fluorophosphine) and mixed fluorophosphine–carbonyl complexes of nickel(O) (1970) (10)
- Simulation of water around a model protein helix. II: The relative contributions of packing, hydrophobicity, and hydrogen bonding (1993) (10)
- Tests of models of molecular reorientation in liquids (1982) (10)
- The fracture of perfect crystals under uniaxial tension at high temperatures (1992) (10)
- Separation of vibrational dephasing and reorientational contributions to the infrared and Raman lineshapes in a simulation of MeCN (1989) (10)
- Estimation of slow diffusion rates in confined systems: CCl4 in zeolite NaA (2002) (10)
- Exact quantum solutions of extraordinary N-body problems (1999) (10)
- What can classical simulators learn from ab initio simulations (2002) (9)
- A model of the paraelectric phase of thiourea (1986) (9)
- Relaxation to a Perpetually Pulsating Equilibrium (2004) (9)
- Comparison of the Results from Simulations with the Predictions of Models for Molecular Reorientation (1984) (9)
- A simulation study of films of n-hexane and n-perfluorohexane on a solid surface (2001) (8)
- Selective DEPT pulse sequence. A rapid one-dimensional experiment for the simultaneous determination of carbon-proton chemical-shift correlations and CHn multiplicities (1983) (8)
- Generation of heteronuclear 13C1H chemical-shift correlations using soft pulses (1984) (8)
- 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) (1991) (8)
- Hydrophobic solvation of Gay-Berne particles in modified water models. (2008) (8)
- Using DL_POLY to study the sensitivity of liquid structure to potential parameters (2006) (8)
- Optical Kerr effect spectroscopy of CS2 in monocationic and dicationic ionic liquids: insights into the intermolecular interactions in ionic liquids. (2018) (8)
- Crystalline potassium perrhenate: a study using molecular dynamics and lattice dynamics (1994) (8)
- Relaxation and linewidths in some nuclear magnetic resonance spectra (1965) (8)
- Solvation effects on equilibria: Triazoles and N-methyl piperidinol (2002) (8)
- The importance of polarizability: comparison of models of carbon disulphide in the ionic liquids [C1C1im][NTf2] and [C4C1im][NTf2]. (2016) (8)
- On the shapes of Newton's revolving orbits (1997) (8)
- A simulation study of CS2 solutions in two related ionic liquids with dications and monocations. (2018) (7)
- Phosphorus-phosphorus coupling constants in cis-and trans-isomers of bis(trifluorophosphine)chromium tetracarbonyl (1970) (7)
- Erratum to “Surface and bulk properties of metals modelled with Sutton-Chen potentials” [Surface Science 281 (1993) 191] (1995) (7)
- A model with charges and polarizability for CS2 in an ionic liquid (2017) (6)
- A computer simulation study of the disorder in ammonium perrhenate (1994) (6)
- The velocity distribution of desorbing molecules: a simulation study (1999) (6)
- TRANSFER OF A POLLUTANT MOLECULE THROUGH A WATER FILM ON A SINGLE CRYSTAL SURFACE (1999) (6)
- Structure and dynamics of ionic liquids: general discussion. (2018) (6)
- Molecular dynamics simulation of atomic force microscopy: imaging single-atom vacancies on Ag(001) and Pt(001) (1999) (6)
- Electron Spin Relaxation Studies of Manganese(II) Complexes in Acetonitrile (1972) (6)
- Transient oscillations in heteronuclear double resonance spectra of coupled systems (1980) (5)
- TRANSFER OF A POLLUTANT MOLECULE THROUGH A WATER FILM SUPPORTED BY MgO(100): FREE ENERGY PROFILES (1999) (5)
- A molecular dynamics study of the rotator phase of t-butyl bromide (1987) (5)
- AN AB INITIO AND NEUTRON DIFFRACTION STUDY OF AMMONIUM CHLORIDE (1998) (5)
- Motion in surface layers of N2 on graphite (1986) (4)
- The spin density matrix for slowly reorienting molecules in zero field (1973) (4)
- Lattice melting and rotation in perpetually pulsating equilibria. (2006) (4)
- Substituent effects on the rotational strength of the n–π* carbonyl band (1967) (4)
- Computed vibrational wavenumbers in ammonium fluoride crystals (2001) (4)
- The pathway to reorientation in ammonium fluoride (2000) (4)
- The onset of disorder on a surface with a step (1991) (4)
- Magnitude and signs of phosphorus-phosphorus coupling constants, 2JPMP′, in transition metal-phosphine complexes (1971) (3)
- Rotational relaxation in dense gases (1991) (3)
- Proton and phosphorus-31 nuclear magnetic resonance spectra of octahedral trisdimethylphenylphosphine complexes with meridional configurations (1973) (3)
- PURE VIBRATIONAL DEPHASING OF TRIIODIDE IN LIQUIDS AND GLASSES (2003) (2)
- The Regular Tetrahedron Extension of Lagrange's Three Bodies (1994) (2)
- Changing bodies, changing lives : a book for teens on sex and relationships (1987) (2)
- Comment (2002) (2)
- Determining the electronic structure and chemical potentials of molecules in solution (2002) (1)
- Symmetry and the Slowly Tumbling Spin System (1972) (1)
- Predicting cavity formation free energy: how far is the Gaussian approximation valid? (2012) (1)
- Ionic liquids at interfaces: general discussion. (2018) (1)
- Comparison of three related imidazolium ionic liquids and their CS2 solutions (2020) (1)
- Proceedings of Faraday Symposium 20 On Phase-transitions In Adsorbed Layers - General Discussion (1986) (1)
- Long range corrections for charged systems (1999) (1)
- Simulations of ionic liquids near charged walls (2011) (1)
- My Life in Changing Times: New Ideas and New Techniques. (2021) (0)
- F eb 2 00 4 Solvent-induced symmetry breaking and second order phase transitions (2008) (0)
- Lennard–Jones Lecture 2017* * (2018) (0)
- The Chemical Bond in Molecules and Solids (1999) (0)
- Clusters, Liquids, and Crystals of Dialkyimidazolium Salts: A Combined Perspective from ab initio and Classical Computer Simulations (2008) (0)
- Computer Simulation of Atomic Dynamics on Metal Surfaces (1994) (0)
- J an 2 00 4 Relaxation to a Perpetually Pulsating Equilibrium (2004) (0)
- Orientationally Disordered Solids (1999) (0)
- Using simulation in the 1980s (2015) (0)
- Using Simulations to Study Vibrational Relaxation of Molecules in Liquids (2004) (0)
- Solvent-induced symmetry breaking and second order phase transitions (2004) (0)
- Daan Frenkel — An entropic career (2018) (0)
- The interaction of ammonia with the protic ionic liquid ethylammonium nitrate: A simulation study (2020) (0)
- Molecular Structure and Dynamics (2007) (0)
- Screening of highly charged ions in an ionic liquid; when will ion pairs form? (2020) (0)
- Hydrogen bond strength and network effects on hydration of nonpolar molecules (2018) (0)
- 06 11 72 5 v 1 2 2 N ov 2 00 6 Lattice M elting and R otation in Perpetually Pulsating Equilibria (2022) (0)
- Dominique Levesque (2003) (0)
- Simulated electron spin resonance spectra of nitroxide spin labels in slowly reorienting rod shaped molecules (1975) (0)
- Comment (2002) (0)
- The importance of polarizability: comparison of models of carbon disulphide in the ionic liquids [C$_1$C$_1$im][NTf$_2$] and [C$_4$C$_1$im][NTf$_2$] (2016) (0)
- Lynden-Bell, Ruth M.: Reminiscences of Early Days of NMR (2007) (0)
- Permeability of gases through foams (1999) (0)
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