kcal/mol. (0.5 pt) Question 2: Write down the potential energy for anti-butane: 1.4.2 Save molecule as: File | Save, ent

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Kcal Mol 0 5 Pt Question 2 Write Down The Potential Energy For Anti Butane 1 4 2 Save Molecule As File Save Ent 1 (60.4 KiB) Viewed 10 times

kcal/mol. (0.5 pt) Question 2: Write down the potential energy for anti-butane: 1.4.2 Save molecule as: File | Save, enter the name of anti_butane.moe, and save. 1.4.3. Now we move on to obtain potential energies for the gauche conformation (60°). 1.4.3.1 To change conformation to from currently 180° to 60°, press down Shift key, select (by pressing down the left button of your mouse) from one end carbon to the other end, i.e., C1-C2-C3- C4, in the box of Dihedral at the bottom of the MOE interface, enter 60°, press on Apply. Then press left button to anywhere else to get out of the selection mode. Rotate it till you see Norman Project of gauche-butane, draw a Newman Projection of gauche-butane on your report paper. 1.4.3.2 To obtain energy for this gauche conformation, click Computer | Energy Minimize. Follow the same procedure as in Fig. 2 when you obtained anti-butane energy (i.e., press Forcefield, click on Fix Charges; press Apply and press OK; change Gradient to 0.05) and press OK. Write down the first energy number for gauche-butane. Save your minimized molecule as gauche_butane.moe. Question 3: Write down the energy of gauche (60°) butane: kcal/mol. (0.5 pt)