47 results on '"Lynden-Bell, R.M."'
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2. Using simulation in the 1980s
3. Does Marcus theory apply to redox processes in ionic liquids? A simulation study
4. Why are aromatic compounds more soluble than aliphatic compounds in dimethylimidazolium ionic liquids? A simulation study
5. Evidence for partial dissociation of water on flat MgO(100) surfaces
6. Structures of adsorbed water layers on MgO: an ab initio study
7. Computer simulation studies of the structure and dynamics of ions and non–polar solutes in water
8. Symmetry breaking of the triiodide ion in acetonitrile solution
9. The pathway to reorientation in ammonium fluoride
10. Permeability of gases through foams
11. Molecular dynamics simulation of atomic force microscopy: imaging single-atom vacancies on Ag(001) and Pt(001)
12. An ab initio and neutron diffraction study of ammonium chloride
13. Atomistic simulations of fluid structure and solvation forces in atomic force microscopy
14. Erratum to “Surface and bulk properties of metals modelled with Sutton-Chen potentials” [Surface Science 281 (1993) 191]
15. Free energy changes on freezing and melting ductile metals
16. Force oscillations and liquid structure in simulations of an atomic force microscope tip in a liquid
17. The orientational order/disorder phase transition of urea-paraffin inclusion compounds
18. What is the Natural Boundary of a Protein in Solution?
19. Surface and bulk properties of metals modelled with Sutton-Chen potentials
20. A computational study of metal stepped surfaces
21. Migration of adatoms on the (100) surface of face-centred-cubic metals
22. Rotational relaxation in dense gases
23. The interaction of crystal surfaces in close proximity
24. A computer simulation investigation of surface disordering in adsorbed multilayers
25. A molecular dynamics study of the intermolecular spin-spin dipole-dipole correlation function of liquid acetonitrile
26. A vector description of multiple-quantum coherence in AXn spin systems
27. The relaxation matrices for AX2 and AX3 nuclear spin systems
28. Investigation of the internal rotation of methyl groups by T1 relaxation measurements
29. Distribution and dynamics of mobile ions in systems of ordered B-DNA
30. Tests of models of molecular reorientation in liquids
31. Separation of vibrational dephasing and reorientational contributions to the infrared and Raman lineshapes in a simulation of MeCN
32. Translational molecular motion and cages in computer molecular liquids
33. Investigation of the lattice vibrations of solid NaNO2 by means of molecular dynamics calculations
34. Nuclear spin relaxation by symmetric and antisymmetric components of the shielding tensor
35. Coupling of vibrational and reorientational dephasing in mobile liquids
36. Vibrational relaxation and line widths in liquids dephasing by intermolecular forces
37. Theory of vibrational linewidths
38. Reorientational correlation functions for computer-simulated liquids of tetrahedral molecules
39. Analysis of translation-rotation coupling in an orientationally disordered ionic crystal
40. The effect of molecular reorientation on the lineshapes of degenerate vibrations in infra-red and Raman spectra of liquids
41. Vibrational relaxation and line widths in liquids: a comparison of theory and experiment
42. Are models necessary to describe molecular reorientation of symmetrical molecules?
43. A study of vibrational dephasing of theA1modes of CH3CN in a computer simulation of the liquid phase
44. The effects of pressure and temperature on vibrational dephasing in a simulation of liquid CH3CN
45. Molecular motion in a model of liquid acetonitrile
46. Phosphorus-phosphorus coupling constants in cis-and trans-isomers of bis(trifluorophosphine)chromium tetracarbonyl
47. The line shapes of a tumbling triplet
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