The properties of fluids near interfaces, in particular, the fluid-solid interfaces on which this work is concentrated, are important in many processes, such as: wettability as related to oil recovery and environmental ...

Ab initio calculations of the electronic structure of bulk materials and large clusters are not possible on today's computers using current techniques. The storage and diagonalization of the Hamiltonian matrix are the ...

Collisional energy removal rates from vibrationally excited T$\sb1$ pyrazine are measured using the refined and validated Competitive Radiationless Decay (CRD) method. Optical excitation followed by intersystem crossing ...

Peresters $\beta$ to azo or azoxy groups are potentially interesting bifunctional initiators. They decompose thermally at essentially the same rate as the analogous simple perester. It follows that decomposition occurs ...

Potassium Rydberg atoms are used to investigate the lifetimes, on a picosecond timescale, of transient negative ions formed during dissociative electron attachment to CCl$\sb4$ and CF$\sb3$I. The transient negative ions ...

The reaction dynamics of realistic molecular Hamiltonians including both mode coupling and anharmonicity may be profitably explored by classical trajectories. However even if such trajectories begin in phase the energy ...

A process for purification of the previously insoluble empty fullerenes and endohedral metallofullerenes was developed, based on sublimation from the soot and subsequent solubilization by electrochemical reduction. The ...

The first tissue-vectored fullerene derivative, C60 (OH)16AMBP (4,4-bisphosphono-2-(polyhydroxyl-1,2-dihydro-1,2-methanofullerene[60]-61-carboxamido)-butyric acid), designed to target bone tissue, has been synthesized, ...

Design, development, and application of novel all-solid-state spectroscopic gas sensors is reported. These compact instruments employ mid-infrared difference-frequency generation pumped by room-temperature semiconductor ...

The technique of infrared kinetic spectroscopy has been used to study the reaction of the propargyl radical (C3H3) with nitric oxide (NO). The overall rate constant at the high pressure limit for the reaction was determined ...