Valence Shell Electron Pair Repulsion simulator
Tools | 06 Dec 2009 | Contributor(s): Baudilio Tejerina
This tool calculates the optimal distribution of particles subject to a Coulombic potential on the surface of a sphere.
EPR - ESR
Tools | 14 Apr 2009 | 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
Tools | 12 Aug 2008 | Contributor(s): Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
Coarse Grain Lipid Simulator
Tools | 31 Jul 2008 | 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.
Theoretical Electron Density Visualizer
Tools | 01 Jul 2008 | Contributor(s): Baudilio Tejerina
TEDVis calculates and displays 3D maps of molecular ED and its derivatives from the wave function.
Active Media FDTD Nanophotonic Device Simulator
Tools | 04 Apr 2008 | Contributor(s): Baudilio Tejerina, zhengquan zhang, Yunan Zheng, Seng-Tiong Ho
Modeling and analysis of solid state, molecular or atomic semiconductor photonics media.
UV/Vis Spectra simulator
Tools | 04 Mar 2008 | Contributor(s): Baudilio Tejerina
This tool computes molecular electronic spectra.
Molecular Structure Tracer
Tools | 05 Feb 2008 | Contributor(s): Baudilio Tejerina
This tool provides a high quality display of molecular structures.
CNDO/INDO
Tools | 09 Oct 2007 | Contributor(s): Baudilio Tejerina, Jeff Reimers
Semi-empirical Molecular Orbital calculations.
Nanosphere Optics Lab Field Simulator
Tools | 09 Aug 2007 | Contributor(s): Baudilio Tejerina, Tyler Takeshita, Logan Ausman, George C. Schatz
Study of the Electric field induced by Light-Nanoparticle interaction.
QC-Lab
Tools | 14 Feb 2006 | Contributor(s): Baudilio Tejerina
Quantum Chemsitry Lab: Ab Initio and DFT molecular and electronic structure calculations of small molecules