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Science
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| Number of pages / Number of words: |
3 / 682 |
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For amphetamine it seemed to go smoothly through the entire process. But when the strain energies were rechecked it was found that there were many differences. The same also applied for U4EA. The method used to find the strain energy was to minimize the molecule with an optimum angle set. The first dihedral angle was entered, the strain energy calculated and the molecule was minimized again...
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The method used to find the strain energy was to minimize the molecule with an optimum angle set. The first dihedral angle was entered, the strain energy calculated and the molecule was minimized again. The next dihedral angle was set, the strain energy calculated and the molecule was minimized a second time...
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General points of the essay
Molecular Modeling
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Strain Theory
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