Global ETD Search

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Showing 1 to 2 of 2 for “"potential-energy surface derivation"”.

  1. Theoretical studies of the dynamics of gas-phase and gas/surface atom+alkane reactions and of the structure and dynamics of water confined between hydrophobic surfaces

    … dynamics in the gas phase and at the gas/organic-surface interface and non-reactive dynamics at the interface between hydrophobic surfaces and water requires an understanding of the fundamental atomic and molecular interactions that undergird these important phenomena. In an effort to study these …

    vt Repository record for Theoretical studies of the dynamics of gas-phase and gas/surface atom+alkane reactions and of the structure and dynamics of water confined between hydrophobic surfaces (opens in a new tab)

  2. Theoretical and experimental studies of energy transfer dynamics in collisions of atomic and molecular species with model organic surfaces

    … of chemical reaction dynamics at the gas/organic-surface interface requires knowledge of energy-transfer processes that happen during the initial gas/surface collision. We have examined the influence of mass and rovibrational motion on the energy-transfer dynamics of gas-phase species scattering …

    vt Repository record for Theoretical and experimental studies of energy transfer dynamics in collisions of atomic and molecular species with model organic surfaces (opens in a new tab)