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Carbon Nanotube Fracture
Group Wiki Page:
Due to their mechanical properties, carbon nanotubes (CNTs) hold promise as nanoreinforcements in a variety of composites. As a result, numerous theoretical and experimental studies have been performed in order to understand their behavior under axial tension. Whereas quantum mechanical...
Optical and thermodynamic properties of gold metal nanoparticles. Effect of chemical functionalization.
This laboratory is intended to introduce the student to the use of semiempirical electronic structure methods. In particular, the semiempirical methods will be applied to the study of metallic clusters and the interaction of the clusters with discrete molecular systems such as...
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 is bonded to the protein opsin, forming rhodopsin) undergoes a conversion from the cis to the trans configuration. In this...
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 modeling chemical reactivity and catalysis. The teaching of electronic structure theory at the...
General Chemistry. Nanoscience and Computational Chemistry Modules
General Chemistry on the Nanohub: Nanoscience and Computational Chemistry Modules
George C. Schatz
Department of Chemistry, Northwestern University, Evanston IL 60208
General Chemistry courses are taught at every college and university, and usually the goal is to cover the field of...
NCN Nano-Devices for Medicine and Biology
This NCN theme seeks to extend the understanding and computational tools developed in the Nanoelectronics and NEMS themes and apply them to the development of devices for medicine and biology. The long-term vision is to develop a full hierarchy of coupled models and simulations that constitute...
NCN Nanophotonics and Metamaterials
Nanophotonics involves light and matter interacting on the nanoscale; while biophotonics addresses the ways that light and biological matter interact. Nanophotonics is especially relevant to the development of chemical and biological sensors and to new information processing and communications...