Direct aqueous photolysis of cis-pinonic acid (PA; 2-(3-acetyl-2,2-dimethylcyclobutyl)acetic acid; CAS Registry No. 473-72-3) by 280-400 nm radiation was investigated. The photolysis resulted inâ€¦ (More)

A new algorithm for computing anharmonic vibrational states for polyatomic molecules is proposed. The algorithm starts with the vibrational self-consistent field ~VSCF! method and uses degenerateâ€¦ (More)

The photodissociation of HCl in solid Ar is studied by non-adiabatic Molecular Dynamics simulations, based on a surface-hopping treatment of transitions between different electronic states. Theâ€¦ (More)

The photodissociation of HCl adsorbed on the surface of an Ar12 cluster is studied by semiclassical molecular dynamics simulations, using a surface-hopping approach for the nonadiabatic transitions.â€¦ (More)

A description of a silicon-gate complementary MOS structure with polysilicon source and drain contacts is presented. Only seven masks are required due to the utilization of doped oxides for theâ€¦ (More)

Anharmonic vibrational frequencies and intensities are computed for hydrogen fluoride clusters (HF) n with n=3,4 and mixed clusters of hydrogen fluoride with water (HF)n(H20)n where n= 1,2. For theâ€¦ (More)

First-principles anharmonic calculations are carried out for the IR and Raman spectra of the CAH stretching bands in butane. The calculations use the Vibrational Self-Consistent Field (VSCF)â€¦ (More)

The vibrational spectroscopy of SO4 2âˆ’ Â· H2O n is studied by theoretical calculations for n=1â€“5, and the results are compared with experiments for n=3â€“5. The calculations use both ab initio MP2 andâ€¦ (More)

Pulsed Doppler-free two-photon excitation of Single rotational states o f the 141 vibronic State of benzene with a resolution of 70 M H z is employed to investigate the influence of molecularâ€¦ (More)