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4.0 out of 5 stars
14 Feb 2008 | Tools | Contributor(s): David Papke, Reza Toghraee, Umberto Ravaioli, Ankit Raj
Simulates ion flow through a channel.
0.0 out of 5 stars
29 Feb 2008 | Tools | Contributor(s): Baudilio Tejerina, Jeff Reimers
Semi-empirical Molecular Orbital calculations.
MIT Atomic Scale Modeling Toolkit
5.0 out of 5 stars
24 Jan 2008 | Tools | Contributor(s): daniel richards, Elif Ertekin, Jeffrey C Grossman, David Strubbe, Justin Riley
Tools for Atomic Scale Modeling
Northwestern University Initiative for Teaching Nanoscience
20 Aug 2008 | Tools | Contributor(s): Baudilio Tejerina
This package allows users to study and analyze of molecular properties using various electronic structure methods.
24 May 2012 | Tools | Contributor(s): Ron Earle Miller, Ellad B Tadmor
Coupled molecular statics and finite element simulation of deformation in crystalline solids
Theoretical Electron Density Visualizer
07 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
15 Apr 2008 | Tools | Contributor(s): Baudilio Tejerina
This tool computes molecular electronic spectra.
Valence Shell Electron Pair Repulsion simulator
09 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.