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7 February 2013
- 21:0521:05, 7 February 2013 diff hist 0 N File:ETHYLENE.png No edit summary current
- 21:0121:01, 7 February 2013 diff hist +1,312 Rep:Mod:FRC1510 →Module 3: Week 2: The Diels Alder Cycloaddition
- 20:4720:47, 7 February 2013 diff hist 0 N File:BUTADIENE LUMO SYMMETRIC.png No edit summary current
- 20:4620:46, 7 February 2013 diff hist 0 N File:BUTADIENE HOMO ASSYMETRIc.png No edit summary current
- 20:3220:32, 7 February 2013 diff hist +1,760 Rep:Mod:FRC1510 →Module 3: Week 2: The Diels Alder Cycloaddition
- 19:5519:55, 7 February 2013 diff hist 0 N File:BUTANDIENE.png No edit summary current
- 18:1118:11, 7 February 2013 diff hist +24 Rep:Mod:FRC1510 →631G Optimisations of the chair transition states:
- 17:5917:59, 7 February 2013 diff hist +479 Rep:Mod:FRC1510 →REFERENCES
- 17:3617:36, 7 February 2013 diff hist −5 Rep:Mod:FRC1510 →Minimisation of energy of the Chair transition state
- 17:3517:35, 7 February 2013 diff hist +937 Rep:Mod:FRC1510 →Intrinsic Reaction Coordinate:
- 17:2817:28, 7 February 2013 diff hist 0 N File:IR SPECTRA CHAIR MINIMIZE.png No edit summary current
- 17:2217:22, 7 February 2013 diff hist 0 N File:CHAIR TS 321G MINIMIZE.LOG No edit summary current
- 17:1417:14, 7 February 2013 diff hist +1,983 Rep:Mod:FRC1510 →Intrinsic Reaction Coordinate:
- 16:5416:54, 7 February 2013 diff hist 0 N File:IR SPECTRA BOAT MINIMIZE.png No edit summary current
- 16:4516:45, 7 February 2013 diff hist 0 N File:BOAT5 TS 321G MINIMIZE FRE.LOG No edit summary current
- 16:1416:14, 7 February 2013 diff hist +1,304 Rep:Mod:FRC1510 →Optimisation and Frequency Analysis of the boat transition state using the QST2 method
- 16:0416:04, 7 February 2013 diff hist 0 N File:BOAT TS 321G imaginary.gif No edit summary current
- 15:4715:47, 7 February 2013 diff hist +647 Rep:Mod:FRC1510 →Comparisons of the two methods for the measurement of the chair transition state
- 15:3015:30, 7 February 2013 diff hist +6 Rep:Mod:FRC1510 →Optimising the chair transition state computing the force constant matrix
- 14:1614:16, 7 February 2013 diff hist +92 Rep:Mod:FRC1510 →Module 3: Week 1: Optimizing the "Chair" and "Boat" Transition Structures
- 14:1314:13, 7 February 2013 diff hist +83 Rep:Mod:FRC1510 →Optimising the chair transition state using the frozen coordinate method.
- 14:1114:11, 7 February 2013 diff hist +172 Rep:Mod:FRC1510 →Optimising the chair transition state computing the force constant matrix
- 14:0614:06, 7 February 2013 diff hist 0 N File:CHAIR TS 321G imaginary.gif No edit summary current
- 13:5713:57, 7 February 2013 diff hist +35 Rep:Mod:FRC1510 →Optimising the chair transition state computing the force constant matrix
- 13:5513:55, 7 February 2013 diff hist +1,138 Rep:Mod:FRC1510 →Optimising the chair transition state computing the force constant matrix
- 13:4513:45, 7 February 2013 diff hist +915 Rep:Mod:FRC1510 →Optimising the first half of the transition state
- 13:3413:34, 7 February 2013 diff hist +255 Rep:Mod:FRC1510 →Frequency Analysis of the 631-G(d) basis set of the app conformation of 1,5-hexadiene
- 13:2713:27, 7 February 2013 diff hist +680 Rep:Mod:FRC1510 →Frequency Analysis of the 631-G(d) basis set of the app conformation of 1,5-hexadiene
- 13:1613:16, 7 February 2013 diff hist +539 Rep:Mod:FRC1510 →Frequency Analysis
- 13:0813:08, 7 February 2013 diff hist +21 Rep:Mod:FRC1510 →Comparisons of the geometries of the different optimisation results of the app conformation
- 13:0613:06, 7 February 2013 diff hist +521 Rep:Mod:FRC1510 →Optimising the app conformation once more with a higher level of theory
- 13:0213:02, 7 February 2013 diff hist +434 Rep:Mod:FRC1510 →Naming the Conformations according to Appendix 1
- 12:5312:53, 7 February 2013 diff hist +163 Rep:Mod:FRC1510 →Comparisons of Energies
- 12:3712:37, 7 February 2013 diff hist +515 Rep:Mod:FRC1510 →Optimisation of a gauche conformation of 1,5-hexadiene
- 12:3612:36, 7 February 2013 diff hist −515 Rep:Mod:FRC1510 →Optimising the app conformation once more with a higher level of theory
- 12:3612:36, 7 February 2013 diff hist +515 Rep:Mod:FRC1510 →Optimising the app conformation once more with a higher level of theory
- 12:2812:28, 7 February 2013 diff hist +963 Rep:Mod:FRC1510 →Module 3: Week 1: The Cope Rearrangement of 1,5-hexadiene Tutorial
4 February 2013
- 17:1917:19, 4 February 2013 diff hist +87 Rep:Mod:FRC1510 →Minimization of the boat transition state
- 17:1617:16, 4 February 2013 diff hist +853 Rep:Mod:FRC1510 →Minimization of the boat transition state
- 17:0717:07, 4 February 2013 diff hist 0 N File:BOAT TS MINIMIZED.png No edit summary current
- 17:0217:02, 4 February 2013 diff hist 0 N File:BOAT5 TS 321G IRC3 MINIMIZE.LOG No edit summary current
- 17:0217:02, 4 February 2013 diff hist +558 Rep:Mod:FRC1510 →Chair Transition State:
- 16:4816:48, 4 February 2013 diff hist 0 N File:TOTAL E IRC BOAT TS.png No edit summary current
- 16:4016:40, 4 February 2013 diff hist +155 Rep:Mod:FRC1510 →Minimisation of energy of the Chair transition state
- 16:1816:18, 4 February 2013 diff hist +20 Rep:Mod:FRC1510 →Chair Transition State:
- 16:1516:15, 4 February 2013 diff hist +92 Rep:Mod:FRC1510 →Minimisation of energy of the Chair transition state
- 16:1116:11, 4 February 2013 diff hist +268 Rep:Mod:FRC1510 →Minimisation of energy of the Chair transition state
- 15:5915:59, 4 February 2013 diff hist +963 Rep:Mod:FRC1510 →Chair Transition State:
- 15:5115:51, 4 February 2013 diff hist 0 N File:CHAIR TS MINIMISED.png No edit summary current
- 15:4815:48, 4 February 2013 diff hist 0 N File:CHAIR TS 321G IRC MINIMIZE.LOG No edit summary current