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Biological and Chemical Physics

Peer Reviewed Articles

2010

Articles 1 - 2 of 2

Full-Text Articles in Physics

Mapping Water Collisions For Interstellar Space Conditions, C.-H. Yang, G. Sarma, J. J. Ter Meulen, D. H. Parker, George C. Mcbane, Laurent Wiesenfeld, A. Faure Oct 2010

Mapping Water Collisions For Interstellar Space Conditions, C.-H. Yang, G. Sarma, J. J. Ter Meulen, D. H. Parker, George C. Mcbane, Laurent Wiesenfeld, A. Faure

Peer Reviewed Articles

We report a joint experimental and theoretical study that directly tests the quality of the potential energy surfaces used to calculate energy changing cross sections of water in collision with helium and molecular hydrogen, at conditions relevant for astrophysics. Fully state-to-state differential cross sections are measured for H2O-He and H2O-H2 collisions at 429 and 575 cm-1 collision energy, respectively. We compare these differential cross sections with theoretical ones for H2O+H2 derived from state-of-the-art potential energy surfaces [P. Valiron et al., J. Chem. Phys. 129, 134306 (2008)] and quantum scattering calculations ...


Photodissociation Of Ozone In The Hartley Band: Potential Energy Surfaces, Nonadiabatic Couplings, And Singlet/Triplet Branching Ratio, Reinhard Schinke, George C. Mcbane Jan 2010

Photodissociation Of Ozone In The Hartley Band: Potential Energy Surfaces, Nonadiabatic Couplings, And Singlet/Triplet Branching Ratio, Reinhard Schinke, George C. Mcbane

Peer Reviewed Articles

The lowest five 1A'states of ozone, involved in the photodissociation with UV light, are analyzed on the basis of multireference configuration interaction electronic structure calculations with emphasis on the various avoided crossings in different regions of coordinate space. Global diabatic potential energy surfaces are constructed for the lowest four states termed X, A, B, and R. In addition, the off-diagonal potentials that couple the initially excited state B with states R and A are constructed to reflect results from additional electronic structure calculations, including the calculation of nonadiabatic coupling matrix elements. The A/X and A/R couplings ...