quantum mechanics – TechConnect Briefs

Drain Current Model for Thin Body Undoped and Lightly Doped Double-Gate MOSFETs

Abd Elhamid H., Ineguez B., Ismail Y., Deen MJ., Zewail City of Science and Technology, EG

We developed new compact models that include the QM effects on electrical properties such as the surface potential, and drain current. The models were used to study the impact of subband engineering and holes/electrons IMREF [...]

Symmetry Dynamics in Leadership and Management

Gilberto Js., Concepcion G., Universidad Nacional Pedro Henriquez Ureña, JGC & Associates, DO

A symmetry model based on Molecular Orbital symmetry of neurotransmitters and their interaction with ion channeling effect is proposed in order to relate thiniking coordination patterns to leadership and management conditions and how can they [...]

Characterization of a Novel Self-Association of an Alternating Copolymer into Nanotubes in Solution

Malardier-Jugroot C., van de Ven T.G.M., Whitehead M.A., McGill University, CA

The characterisation of the association of an alternating copolymer was performed using theoretical methods (quantum mechanics and molecular mechanics) and experimental methods (cryo-Transmission Electron Microscopy, Neutron Reflectivity and Neutron Scattering). The most stable conformation obtained [...]

Ab initio Molecular Dynamics Simulations of Aluminum Ion Solvation in Water Clusters

Lubin M.I., Bylaska E.J., Weare J.H., University of California, US

The results of ab initio molecular dynamics simulations of the solvation of Al3+ and its hdrolyzation products in water clusters are reported. Al3+ ions in water clusters (6<n<16) form a stable hexa-hydrate Al(H20)3+6 complex in [...]