Valence Shell Electron Pair Repulsion simulator

06 Dec 2009 | Tools | Contributor(s): Baudilio Tejerina

This tool calculates the optimal distribution of particles subject to a Coulombic potential on the surface of a sphere.

Coarse Grain Lipid Simulator

31 Jul 2008 | Tools | Contributor(s): Baudilio Tejerina, Elizabeth Brezinski, Martin McCullagh, George C. Schatz

CGLS is a tool intended to aid in the modeling, construction and analysis of lipid systems.

Active Media FDTD Nanophotonic Device Simulator

04 Apr 2008 | Tools | Contributor(s): Baudilio Tejerina, zhengquan zhang, Yunan Zheng, Seng-Tiong Ho

Modeling and analysis of solid state, molecular or atomic semiconductor photonics media.

EPR - ESR

14 Apr 2009 | Tools | Contributor(s): Baudilio Tejerina, Joshua Telser

This program calculates the powder pattern EPR spectra of a 2-spin electronic system.

Northwestern University Initiative for Teaching Nanoscience

12 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina

This package allows users to study and analyze of molecular properties using various electronic structure methods.

Theoretical Electron Density Visualizer

01 Jul 2008 | Tools | Contributor(s): Baudilio Tejerina

TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.

UV/Vis Spectra simulator

04 Mar 2008 | Tools | Contributor(s): Baudilio Tejerina

This tool computes molecular electronic spectra.

CNDO/INDO

09 Oct 2007 | Tools | Contributor(s): Baudilio Tejerina, Jeff Reimers

Semi-empirical Molecular Orbital calculations.

Molecular Structure Tracer

05 Feb 2008 | Tools | Contributor(s): Baudilio Tejerina

This tool provides a high quality display of molecular structures.

Nanosphere Optics Lab Field Simulator

09 Aug 2007 | Tools | Contributor(s): Baudilio Tejerina, Tyler Takeshita, Logan Ausman, George C. Schatz

Study of the Electric field induced by Light-Nanoparticle interaction.

QC-Lab

14 Feb 2006 | Tools | Contributor(s): Baudilio Tejerina

Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules