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Biological and Chemical Physics

Peer Reviewed Articles

1999

Articles 1 - 4 of 4

Full-Text Articles in Physics

Interaction Second Virial Coefficients From A Recent H2-Co Potential Energy Surface, J. Gottfried, George C. Mcbane Dec 1999

Interaction Second Virial Coefficients From A Recent H2-Co Potential Energy Surface, J. Gottfried, George C. Mcbane

Peer Reviewed Articles

No abstract provided.


State-To-State Rotational Excitation Of Co By H2 Near 1000 Cm-1 Collision Energy, Stiliana Antonova, Antonis P. Tsakotellis, Ao Lin, George C. Mcbane Oct 1999

State-To-State Rotational Excitation Of Co By H2 Near 1000 Cm-1 Collision Energy, Stiliana Antonova, Antonis P. Tsakotellis, Ao Lin, George C. Mcbane

Peer Reviewed Articles

Relative state-to-state rotationally inelastic cross sections for excitation of carbon monoxide by hydrogen were measured in a crossed molecular beam experiment at collision energies 795, 860, and 991 cm-1. The results are compared to predictions of a recent ab initio potential energy surface [J. Chem. Phys. 108, 3554 (1998)]. The agreement is very good. A comparison with older data on thermally averaged total depopulation cross sections [Chem. Phys. 53, 165 (1980)] indicates that the absolute magnitudes of the cross sections predicted by the surface are too high. The CO excitation is dominated by collisions that are elastic in H ...


State To State Ne-Co Rotationally Inelastic Scattering, Stiliana Antonova, Ao Lin, Antonis P. Tsakotellis, George C. Mcbane Mar 1999

State To State Ne-Co Rotationally Inelastic Scattering, Stiliana Antonova, Ao Lin, Antonis P. Tsakotellis, George C. Mcbane

Peer Reviewed Articles

Measurements of state-to-state integral cross sections for rotational excitation of CO by collisions with Ne are reported. The measurements were performed in crossed molecular beams with resonance enhanced multiphoton detection at collision energies of 711 and 797 cm-1. The cross sections display strong interference structure, with a propensity for odd Δj below Δj=10. Predictions of the ab initio potential surface of Moszynski et al. [J. Phys. Chem. A 101, 4690 (1997)] and the new ab initio surface of McBane and Cybulski [J. Chem. Phys. 110, 11734 (1999), preceding paper] are compared to the data. The new ...


An Ab Initio Potential Energy Surface For The Ne-Co, George C. Mcbane, Slawomir M. Cybulski Mar 1999

An Ab Initio Potential Energy Surface For The Ne-Co, George C. Mcbane, Slawomir M. Cybulski

Peer Reviewed Articles

A new ab initio two-dimensional potential energy surface for the Ne-CO interaction is described. The surface was obtained by the supermolecule method at the CCSD(T) level of theory. It is compared with several experimental data sets and with the symmetry-adapted perturbation theory (SAPT) surface of Moszynski et al. [J. Phys. Chem. A 101, 4690 (1997)]. The new surface gives modestly better predictions of experimental results that depend on close approach of Ne to CO, but does not describe the ground state geometry as well as the SAPT surface.