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Expanded and simplified Calculation Dialogue |
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Calculation of NMR Spectra |
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New Reaction Calculator |
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Density Functional Theory with B3LYP model |
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Moller-Plesset with MP2 |
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Display of experimental IR and NMR Spectra |
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Fit calculated IR Spectra to experimental IR Spectra |
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Display of electron density surfaces based on % electrons enclosed |
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Name search of Spartan Molecular Database |
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2D-Builder with seamless link to ChemDraw (Windows only) |
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Search and retrieve biomolecules from the Protein Data Bank |
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