Optical and Thermodynamic Properties of Gold Metal Nanoparticles - Effect of Chemical Functionalization
27 May 2021 | | Contributor(s):: Baudilio Tejerina, George C. Schatz, Marcelo Carignano
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 pyridine.
William Ernesto Abarca
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...
Band Structure Lab Demonstration: Bulk Strain
12 Jun 2009 | | Contributor(s):: Gerhard Klimeck
This video shows an electronic structure calculation of bulk Si using Band Structure Lab. Several powerful features of this tool are demonstrated.
OMEN Nanowire Demonstration: Nanowire Simulation and Analysis
11 Jun 2009 | | Contributor(s):: Gerhard Klimeck, Benjamin P Haley
This video shows the simulation and analysis of a nanowire using OMEN Nanowire. Several powerful analytic features of this tool are demonstrated.
Northwestern University Initiative for Teaching Nanoscience
12 Aug 2008 | | Contributor(s):: Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
Tutorial on Semi-empirical Band Structure Methods
out of 5 stars
06 Jul 2008 | | Contributor(s):: Dragica Vasileska
This tutorial explains in details the Empirical Pseudopotential Method for the electronic structure calculation, the tight-binding method and the k.p method. For more details on the Empirical Pseudopotential Method listen to the following presentation:Empirical Pseudopotential Method Described...
09 Oct 2007 | | Contributor(s):: Baudilio Tejerina, Jeff Reimers
Semi-empirical Molecular Orbital calculations.