1-20 of 21
R. M. Lynden-Bell
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

A simulation study of CS2 solutions in two related ionic liquids with dications and monocations

R. M. Lynden-Bell, E. L. Quitevis
Journal: The Journal of Chemical Physics
J. Chem. Phys. 148, 193844 (2018)
https://doi.org/10.1063/1.5008801
Published: April 2018
View article titled, A simulation study of CS<sub>2</sub> solutions in two related ionic liquids with dications and monocations
Open the PDF for A simulation study of CS<sub>2</sub> solutions in two related ionic liquids with dications and monocations in another window
Includes: Supplementary data
Journal Articles

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

R. M. Lynden-Bell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 129, 204503 (2008)
https://doi.org/10.1063/1.3020439
Published: November 2008
View article titled, Redox potentials and screening in ionic liquids: Effects of sizes and shapes of solute ions
Open the PDF for Redox potentials and screening in ionic liquids: Effects of sizes and shapes of solute ions in another window
Journal Articles

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

E. Sloutskin, R. M. Lynden-Bell, S. Balasubramanian, M. Deutsch
Journal: The Journal of Chemical Physics
J. Chem. Phys. 125, 174715 (2006)
https://doi.org/10.1063/1.2361289
Published: November 2006
View article titled, The surface structure of ionic liquids: Comparing simulations with x-ray measurements
Open the PDF for The surface structure of ionic liquids: Comparing simulations with x-ray measurements in another window
Journal Articles

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

F. S. Zhang, R. M. Lynden-Bell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 119, 6119–6131 (2003)
https://doi.org/10.1063/1.1603718
Published: September 2003
View article titled, Temperature and solvent dependence of vibrational relaxation of tri-iodide: A simulation study
Open the PDF for Temperature and solvent dependence of vibrational relaxation of tri-iodide: A simulation study in another window
Journal Articles

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

C. Toubin, S. Picaud, P. N. M. Hoang, C. Girardet, R. M. Lynden-Bell, James T. Hynes
Journal: The Journal of Chemical Physics
J. Chem. Phys. 118, 9814–9823 (2003)
https://doi.org/10.1063/1.1570408
Published: June 2003
View article titled, Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times
Open the PDF for Adsorption of HF and HCl molecules on ice at 190 and 235 K from molecular dynamics simulations: Free energy profiles and residence times in another window
Journal Articles

Ab initio simulation of charged slabs at constant chemical potential

A. Y. Lozovoi, A. Alavi, J. Kohanoff, R. M. Lynden-Bell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 115, 1661–1669 (2001)
https://doi.org/10.1063/1.1379327
Published: July 2001
View article titled, <em>Ab initio</em> simulation of charged slabs at constant chemical potential
Open the PDF for <em>Ab initio</em> simulation of charged slabs at constant chemical potential in another window
Journal Articles

A Monte Carlo study of symmetry breaking of I 3 − in aqueous solution using a multistate diabatic Hamiltonian

C. J. Margulis, D. F. Coker, R. M. Lynden-Bell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 114, 367–376 (2001)
https://doi.org/10.1063/1.1328757
Published: January 2001
View article titled, A Monte Carlo study of symmetry breaking of I 3 − in aqueous solution using a multistate diabatic Hamiltonian
Open the PDF for A Monte Carlo study of symmetry breaking of I 3 − in aqueous solution using a multistate diabatic Hamiltonian in another window
Journal Articles

Landau free energy curves for melting of quantum solids

C. Chakravarty, R. M. Lynden-Bell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 113, 9239–9247 (2000)
https://doi.org/10.1063/1.1316105
Published: November 2000
View article titled, Landau free energy curves for melting of quantum solids
Open the PDF for Landau free energy curves for melting of quantum solids in another window
Journal Articles

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

L. Delle Site, A. Alavi, R. M. Lynden-Bell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 113, 3344–3350 (2000)
https://doi.org/10.1063/1.1287276
Published: August 2000
View article titled, The structure and spectroscopy of monolayers of water on MgO: An <em>ab initio</em> study
Open the PDF for The structure and spectroscopy of monolayers of water on MgO: An <em>ab initio</em> study in another window
Journal Articles

Long range corrections for charged systems

R. M. Lynden-Bell
Journal: AIP Conference Proceedings
AIP Conf. Proc. 492, 3–16 (1999)
https://doi.org/10.1063/1.1301520
Published: November 1999
View article titled, Long range corrections for charged systems
Open the PDF for Long range corrections for charged systems in another window
Journal Articles

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

A. Marmier, P. N. M. Hoang, C. Girardet, R. M. Lynden-Bell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 111, 4862–4864 (1999)
https://doi.org/10.1063/1.479745
Published: September 1999
View article titled, Transfer of a pollutant molecule through a water film on a single crystal surface
Open the PDF for Transfer of a pollutant molecule through a water film on a single crystal surface in another window
Journal Articles

A simulation study of the kinetics of passage of CO 2 and N 2 through the liquid/vapor interface of water

T. Somasundaram, M. in het Panhuis, R. M. Lynden-Bell, C. H. Patterson
Journal: The Journal of Chemical Physics
J. Chem. Phys. 111, 2190–2199 (1999)
https://doi.org/10.1063/1.479491
Published: August 1999
View article titled, A simulation study of the kinetics of passage of CO 2 and N 2 through the liquid/vapor interface of water
Open the PDF for A simulation study of the kinetics of passage of CO 2 and N 2 through the liquid/vapor interface of water in another window
Journal Articles

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

A. Alavi, R. M. Lynden-Bell, R. J. C. Brown
Journal: The Journal of Chemical Physics
J. Chem. Phys. 110, 5861–5865 (1999)
https://doi.org/10.1063/1.478485
Published: March 1999
View article titled, Displacement and distortion of the ammonium ion in rotational transition states in ammonium fluoride and ammonium chloride
Open the PDF for Displacement and distortion of the ammonium ion in rotational transition states in ammonium fluoride and ammonium chloride in another window
Journal Articles

Does solvation cause symmetry breaking in the I 3 − ion in aqueous solution?

R. M. Lynden-Bell, R. Kosloff, S. Ruhman, D. Danovich, J. Vala
Journal: The Journal of Chemical Physics
J. Chem. Phys. 109, 9928–9937 (1998)
https://doi.org/10.1063/1.477659
Published: December 1998
View article titled, Does solvation cause symmetry breaking in the I 3 − ion in aqueous solution?
Open the PDF for Does solvation cause symmetry breaking in the I 3 − ion in aqueous solution? in another window
Journal Articles

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

A. Marmier, P. N. M. Hoang, S. Picaud, C. Girardet, R. M. Lynden-Bell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 109, 3245–3254 (1998)
https://doi.org/10.1063/1.476915
Published: August 1998
View article titled, A molecular dynamics study of the structure of water layers adsorbed on MgO(100)
Open the PDF for A molecular dynamics study of the structure of water layers adsorbed on MgO(100) in another window
Journal Articles

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

R. M. Lynden-Bell, J. C. Rasaiah
Journal: The Journal of Chemical Physics
J. Chem. Phys. 107, 1981–1991 (1997)
https://doi.org/10.1063/1.474550
Published: August 1997
View article titled, From hydrophobic to hydrophilic behaviour: A simulation study of solvation entropy and free energy of simple solutes
Open the PDF for From hydrophobic to hydrophilic behaviour: A simulation study of solvation entropy and free energy of simple solutes in another window
Journal Articles

Mobility and solvation of ions in channels

R. M. Lynden‐Bell, Jayendran C. Rasaiah
Journal: The Journal of Chemical Physics
J. Chem. Phys. 105, 9266–9280 (1996)
https://doi.org/10.1063/1.472757
Published: November 1996
View article titled, Mobility and solvation of ions in channels
Open the PDF for Mobility and solvation of ions in channels in another window
Journal Articles

Free energy barriers to melting in atomic clusters

R. M. Lynden‐Bell, D. J. Wales
Journal: The Journal of Chemical Physics
J. Chem. Phys. 101, 1460–1476 (1994)
https://doi.org/10.1063/1.467771
Published: July 1994
View article titled, Free energy barriers to melting in atomic clusters
Open the PDF for Free energy barriers to melting in atomic clusters in another window
Journal Articles

Stress‐induced failure and melting of ideal solids

Robin L. Blumberg Selinger, R. M. Lynden‐Bell, William M. Gelbart
Journal: The Journal of Chemical Physics
J. Chem. Phys. 98, 9808–9818 (1993)
https://doi.org/10.1063/1.464359
Published: June 1993
View article titled, Stress‐induced failure and melting of ideal solids
Open the PDF for Stress‐induced failure and melting of ideal solids in another window
Journal Articles

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

Jayasankar E. Variyar, Daniel Kivelson, R. M. Lynden‐Bell
Journal: The Journal of Chemical Physics
J. Chem. Phys. 97, 8549–8560 (1992)
https://doi.org/10.1063/1.463373
Published: December 1992
View article titled, Velocity autocorrelation functions of particles and clusters in liquids. A possible criterion for correlation length of incipient glass formation
Open the PDF for Velocity autocorrelation functions of particles and clusters in liquids. A possible criterion for correlation length of incipient glass formation in another window