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Correlation detection techniques (image labeling, coincidence imaging, and joint variance) are developed with an image spectrometer capable of collecting charges ejected over 4\pi sr and a digital camera synchronized with ...

We investigate the vibrational relaxation of HF(v=2-5) in collisions with H atoms by means of fully-quantum reactive scattering calculations. Our calculations are based on the global ab initio potential energy surface of ...

The molecular scale electronic device concept was initiated in 1974 with the semi-quantitative analysis of a hemiquinone molecule. Because of the molecule's electron donor and acceptor properties, and ability to transfer ...

Density functional (DF) theory has proved to be a powerful way to determine the ground state energy of atoms, molecules, and extended systems. An important part of the theory requires one to determine the kinetic energy ...

Highly excited molecules are of great importance in many areas of chemistry including photochemistry. The dynamics of highly excited molecules are affected by the intermolecular and intramolecular energy flow between many ...

In this dissertation we study the role of the F spin-orbit excited state (F*) in the F+H2 and F+HD reactions using quantum mechanical calculations. The calculations involve multiple potential energy surfaces (the ...

Two test structures were tried out for molecular junction formation and subsequent I-V characteristics measurements. One is formed by insertion of certain dithiol molecules into an alkanethiol self-assembled monolayer ...