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PDF document: retinal.pdf
Isomerization reactions are very important in vision, as well as in many other chemical processes. When light is adsorbed, the double bond at carbon 11 in retinal (which...
Quantum Chemistry for Engineers: Nanohub Nanoscience Projects
Electronic structure calculations play a major role in science and engineering, providing valuable information about molecular structure, thermodynamic and spectroscopic properties, and for...
Optical and thermodynamic properties of gold metal nanoparticles. Effect of chemical functionalization.
PDF document: AuNanoParticles.pdf
This laboratory is intended to introduce the student to the use of semiempirical electronic structure methods. In particular, the semiempirical...
Carbon Nanotube Fracture
PDF document: nanotubes.pdf
Due to their mechanical properties, carbon nanotubes (CNTs) hold promise as nanoreinforcements in a variety of composites. As a result, numerous theoretical and...