Author pages are created from data sourced from our academic publisher partnerships and public sources.
Phase transitions of methane using molecular dynamics simulations.
Using a short ranged Lennard-Jones interaction and a long ranged electrostatic potential, CH4 under high pressure was modeled. Molecular dynamics simulations on small clusters (108 and 256 molecules)… Expand
Entropy in bimolecular simulations: A comprehensive review of atomic fluctuations-based methods.
- S. Kassem, Marawan Ahmed, S. El‐Sheikh, K. Barakat
- Physics, Medicine
- Journal of molecular graphics & modelling
- 1 November 2015
Entropy of binding constitutes a major, and in many cases a detrimental, component of the binding affinity in biomolecular interactions. While the enthalpic part of the binding free energy is easier… Expand
COLLISION-INDUCED LIGHT SCATTERING BY ISOTROPIC MOLECULES : THE ROLE OF THE QUADRUPOLE POLARIZABILITY
Abstract The contribution of the quadrupole polarizability C to the long-range polarizability of two interacting isotropic molecules is specified. Its role is seen to be important for the intensity… Expand
Search for a multiproperty empirical intermolecular potential for XeSF6
An approximate anisotropic intermolecular potential for the Xe–SF6 interaction is developed by fitting the Morse–Morse–Morse–Spline–Van der Waals potential form to interaction virial coefficient,… Expand
Perturber dependence of the collision-induced light scattering by SF6 and CF4
The two-body collision-induced light scattering spectra of pure SF6 and CF4 and of their mixtures with inert gases have been measured at 295K. The data were compared with calculations of the spectral… Expand
THREE-BODY CORRELATION SPECTRA FROM COLLISION-INDUCED LIGHT SCATTERING BY SF6 AND CF4
New data on the three-body correlation spectra obtained from collision-induced light scattering by SF6 and CF4 at 295 K are reported. The experimental zeroth and second moments are compared with… Expand
Collision-induced light scattering by isotropic molecules: The role of the quadrupole polarizability
The contribution of the quadrupole polarizability C to the long-range polarizability of two interacting isotropic molecules is specified. Its role is seen to be important for the intensity of the… Expand
Contributions of multipolar polarizabilities to the isotropic and anisotropic light scattering induced by molecular interactions in gaseous methane.
- M. S. El-Kader, S. El‐Sheikh, T. Bancewicz, R. Hellmann
- Chemistry, Medicine
- The Journal of chemical physics
- 27 July 2009
The binary isotropic and anisotropic collision-induced light scattering spectra of gaseous methane at room temperature are analyzed in terms of a recent ab initio intermolecular potential and… Expand
Birnbaum-Cohen lineshape description of the collision-induced light scattering by CH4
Abstract The Birnbaum-Cohen lineshape function for collision-induced spectra, as modified by Frommhold, is applied to collision-induced translational scattering by CH4. Accord with the experiments is… Expand
Induced rotational Raman scattering and the dipole-octopole polarizability of SF6
Abstract The collision-induced depolarized light scattering spectrum of SF 6 is measured in the frequency range 0–100 cm −1 at pressures of 11.6 to 19 atm at 295 K. Induced rotational Raman… Expand