A Quasimolecular Approach to the Field-effect Molecular Transistor: Theory and Application
Zhao Y.-L., Allison T., Mujica V., Gonzalez C., Marquez M., NIST Center for Theoretical and Computational Nanosciences, US
DFT-based modified quasimolecular approach has been developed and implemented for studying molecular conductance successfully, in the case of molecular bridges attached to metal electrodes (Gonzalez et al. J. Phys. Chem. B. 2004, 108, 18414). In [...]