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MOPlot
MOPlot 1.93   
... available to speed up the animation. · The gradient difference and derivative coupling vectors at conical intersections, ... a unique feature of MOPlot). · Plot the energy change in the course of a geometry optimization ...
Freeware
tags: molecular orbital plotting, compute geometric parameters, molecular orbitals, visualization, molecule, orbital

Ascalaph Designer
Ascalaph Designer 1.8.94   
... examples Clashes removing Geometry optimization with conjugate gradient methods Molecular dynamics Multiple time step integration ... chemistry with aid of CP2K and PC GAMESS/Firefly Energy Optimization Potential Derived Charges ...
Freeware
tags: Molecular Model, Molecular Simulation, Molecular Designer, Molecular, Designer, Simulation
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