Screenshots

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Picture 1:  The phenyl radical showing the spin density overlaid with the total density rendered with transparency. Multiple surfaces can be displayed and the settings for each can be adjusted independently.

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Picture 2:  The transition structure for a complex with eigenvectors for the imaginary mode overlaid. Normal modes can ether be animated or displayed as arrows.

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Picture 3:  Plot of the highest occupied molecular orbital (HOMO) for bacteriochlorin. The structure was symmetrized before the calculation to give a perfect D2h structure.

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Picture 4:  The HOMO for 12-Crown-4 rendered using the new Phong shader.

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Picture 5:  Image of the fully integrated Q-Chem User Interface (QUI) which allows for easy generation of input files for the Q-Chem program.