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Quantum mechanical investigation on the vibrational relaxation of HF in collisions with H atoms
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 ...
Hierarchical Intermolecular Interaction Models of N-Heteroaromatic STM Adlayer Structures
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 ...
Ferrocene-based molecular electronics and nanomanufacturing of Pd nanowires.
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 ...