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I am interested in observing hydrocarbon/water interfaces with a Brewster Angle Microscope. We have a BAM in our laboratory but to my knowledge our model has only been used (built?) for gas/liquid...
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I simulated the dihedral potential (0 - 360 degrees) of a molecule with Gaussian (B3LYP) to use the parameters as input for my OPLS Force Field calculations. As C2 (of -C1-C2-C3-C4-) in my...
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