#### Filter Results:

- Full text PDF available (2)

#### Publication Year

1998

2010

- This year (0)
- Last 5 years (0)
- Last 10 years (5)

#### Publication Type

#### Co-author

#### Journals and Conferences

Learn More

High-resolution microwave spectra of the ground state Ne–N2, Ne–N2, Ne–N2, and Ne–N2 Van der Waals complexes, involving rotational levels up to J54, are reported. Interpretation and assignment of the observed transitions were made by combining results of measurements and theoretical predictions of the MW line positions in terms of available empirical… (More)

- Ashok K Dham, George C. McBane, Frederick R. W. McCourt, William J. Meath
- The Journal of chemical physics
- 2010

Four potential energy surfaces are of current interest for the Ne-CO interaction. Two are high-level fully ab initio surfaces obtained a decade ago using symmetry-adapted perturbation theory and supermolecule coupled-cluster methods. The other two are very recent exchange-Coulomb (XC) model potential energy surfaces constructed by using ab initio… (More)

- Ashok K Dham, Frederick R. W. McCourt, William J. Meath
- The Journal of chemical physics
- 2009

Exchange-Coulomb model potential energy surfaces have been developed for the Ne-CO interaction. The initial model is a three-dimensional potential energy surface based upon computed Heitler-London interaction energies and literature results for the long-range induction and dispersion energies, all as functions of interspecies distance, the orientation of CO… (More)

- Ashok K Dham, William J. Meath, Jason W Jechow, Frederick R. W. McCourt
- The Journal of chemical physics
- 2006

The reliability of five N2-Ar potential-energy surfaces in representing the N2-Ar interaction has been investigated by comparing their abilities to reproduce a variety of experimental results, including interaction second viral coefficients, bulk transport properties, relaxation phenomena, differential scattering cross sections, and the microwave and… (More)

- Hui Li, Robert J Le Roy, Frederick R. W. McCourt
- The Journal of chemical physics
- 2009

Numerical calculations show that four modern potential energy surfaces for N(2)-He all support 18 bound intermolecular states for the homonuclear isotopologues (14,14)N(2)-(4)He and (15,15)N(2)-(4)He, and 12 (or 13, for one surface) truly bound states for (14,15)N(2)-He. This contradicts a recent statement [Patel et al., J. Chem. Phys. 119, 909 (2003)] that… (More)

- Frederick R. W. McCourt
- International Conference on Computational Science
- 2006

- Hassan Sabzyan, Frederick R. W. McCourt, William P Power
- The Journal of chemical physics
- 2004

Proton nuclear magnetic resonance spin-lattice relaxation time measurements have been carried out at 500 MHz proton Larmor frequency on two hydrogen-argon gas mixtures with 1.90% and 3.93% hydrogen at four different temperatures in the range 225 K < T < 337 K and at two different number densities. The results for different hydrogen mole percentages have… (More)

- Jamie Sanchez-Fortún Stoker, Ashok K Dham, Frederick R. W. McCourt, Alan S Dickinson
- The Journal of chemical physics
- 2008

A new semiempirical exchange-Coulomb model potential energy surface for the N(2)-He interaction was reported recently [A. K. Dham et al., J. Chem. Phys. 127, 054302 (2007)] and, using it, the temperature dependence of bulk gas properties of N(2)-He mixtures, such as the second virial coefficient and traditional transport phenomena, most of which depend… (More)

- Ashok K Dham, Frederick R. W. McCourt, Alan S Dickinson
- The Journal of chemical physics
- 2007

A new exchange-Coulomb semiempirical model potential energy surface for the He-N2 interaction has been developed. Together with two recent high-level ab initio potential energy surfaces, it has been tested for the reliability of its predictions of second-virial coefficients and bulk transport phenomena in binary mixtures of He and N2. The agreement with the… (More)

- ‹
- 1
- ›