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The intermediate-mode-assisted tunneling mechanism is shown to be relevant for the control of electron (/hole/energy) transfer in donor bridge acceptor based symmetric molecular electronic systems.
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general atomic and molecular electronic structure system.
The ab initio DFT calculations were performed using the general atomic and molecular electronic structure system (GAMESS) [29] software package, interfaced to the CHARMM program.
She will travel to France to conduct electrochemistry research at l'Ecole Normale Superieure on the delivery of nanoquantities of ions and their role in the nanofabrication of molecular electronic devices, artificial photosynthetic system, organic light-emitting diodes, biosensors, and the study of many cellular functions.
The application simulations have been divided into four categories: mechanical andmaterials properties of nanotubes; nanotube heterojunctions as molecular electronic device components; nanoscale electromechanical systems and a laser-driven molecular motor; and nanotube-based nanolithography on silicon surfaces.
The supramolecular systems of molecular conductors described in the chapter have intriguing electronic systems, and a possible extension of these systems is their application to molecular electronics.
Ever since Sondheimer's seminal work on annulenes,[ 1] macrocycles with π-conjugated perimeters have provided fascinating systems for testing theories of molecular electronic structure.
Systems similar to the studied model system have potential use in the design of new molecular electronic devices.
SCELib is a computer program which implements the Single Center Expansion (SCE) method to describe molecular electronic densities and the interaction potentials between a charged projectile (electron or positron) and a target molecular system.
These recent electronically coupled dyads represent attractive photochemical systems to build more complex arrays for solar energy conversion or for molecular electronic applications.
McCreery, R. L. Molecular electronic junctions.
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