Chemical reaction dynamics beyond the Born-Oppenheimer approximation
Article Abstract:
The means by which breakdown of the Born-Oppenheimer approximation at a barrier at an adiabatic reaction coordinate alters dynamics of and expected branching of molecular dissociation pathways has been investigated. To predict branching of energetically allowed product channels, chemists o rely often on statistical transition state theories or precise quantum scattering calculations on one adiabatic potential energy surface. The potential energy surface gives energetic barriers to each chemical reaction and allows rates of reaction to be calculated. The reactions evolve, however, on a single potential energy surface only if the electronic wavefunction can evolve from the reactant electronic configuration to the product electronic configuration fast enough compared to nuclear dynamics through the transition state.
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 1998
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Optical properties and ultrafast dynamics of metallic nanocrystals
Article Abstract:
Some of the properties of individual and the assembled metallic nanoparticles are explained. Their interaction with cw and pulsed laser light of different energies are also focused.
Publication Name: Annual Review of Physical Chemistry
Subject: Chemistry
ISSN: 0066-426X
Year: 2003
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