User contributions for Mm5713
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27 January 2016
- 12:5012:50, 27 January 2016 diff hist +277 Rep:MM5713TSAR →Location of the Endo and Exo Transition Structures
- 12:4812:48, 27 January 2016 diff hist 0 N File:OPTIMIZATION MALEIC ANHYDRIDE OPTFREQ.LOG No edit summary current
- 12:4712:47, 27 January 2016 diff hist 0 N File:OPTIMIZATION CYCLOHEXADIENE OPTFREQ.LOG No edit summary current
- 12:4212:42, 27 January 2016 diff hist +3,330 N Rep:MM5713TSARMolecularOrbitalsCycloaddition Created page with "== Molecular Orbitals for the Endo and Exo Transition State Structure == {| class="wikitable" ! ! HOMO-1 ! HOMO ! LUMO ! LUMO+1 ! LUMO+2 |- | Endo | <jmol> <jmolApplet> <c..."
- 12:3712:37, 27 January 2016 diff hist +6 Rep:MM5713TSAR →Location of the Endo and Exo Transition Structures
- 12:3612:36, 27 January 2016 diff hist +263 Rep:MM5713TSAR →The Diels Alder Cycloaddition
- 12:3612:36, 27 January 2016 diff hist 0 N File:GUESS EXO TS FROM EXO PRODUCT.LOG No edit summary current
- 12:3512:35, 27 January 2016 diff hist 0 N File:OPTIMIZATION EXO PRODUCT.LOG No edit summary current
- 12:3412:34, 27 January 2016 diff hist 0 N File:GUESS ENDO TS FROM ENDO PRODUCT.LOG No edit summary current
- 12:3312:33, 27 January 2016 diff hist 0 N File:OPTIMIZATION ENDO PRODUCT.LOG No edit summary current
- 12:3212:32, 27 January 2016 diff hist −37 Rep:MM5713TSAR →Computation of the Transition State Geometry and Examination of the Nature of the Reaction Path
- 12:3112:31, 27 January 2016 diff hist 0 N File:LowestFrequencyButadiene2 MM.gif No edit summary current
- 12:3112:31, 27 January 2016 diff hist 0 N File:LowestFrequencyButadiene MM.gif No edit summary current
- 12:2812:28, 27 January 2016 diff hist +8 Rep:MM5713TSAR →Computation of the Transition State Geometry and Examination of the Nature of the Reaction Path
- 12:2812:28, 27 January 2016 diff hist 0 N File:IRCEtheneAndButadiene MM.gif No edit summary current
- 11:4611:46, 27 January 2016 diff hist +660 Rep:MM5713TSAR →Diels Alder Cycloaddition of s-cis Butadiene with Ethene
- 11:4311:43, 27 January 2016 diff hist 0 N File:IRCPathButadieneEthene MM.PNG No edit summary current
- 11:4011:40, 27 January 2016 diff hist 0 N File:IRC CYCLOADDITION BUTADIENE ETHENE.LOG No edit summary current
- 11:3811:38, 27 January 2016 diff hist 0 N File:GUESS TS CYCLOADDITION PROTOTYPE.LOG No edit summary current
- 11:3711:37, 27 January 2016 diff hist 0 N File:ETHENE OPTIMIZATION.LOG No edit summary current
- 11:3611:36, 27 January 2016 diff hist 0 N File:CIS BUTADIENE OPTIMIZATION.LOG No edit summary
- 11:3511:35, 27 January 2016 diff hist −2 Rep:MM5713TSAR →Activation Energy Calculation for the Cope Rearrangement across the Chair and Boat Transition Structures
- 11:3211:32, 27 January 2016 diff hist −10 Rep:MM5713TSAR →Determination of the Conformer formed from the Chair Transition Structure by the Intrinsic Reaction Coordinate Method
- 11:3211:32, 27 January 2016 diff hist 0 N File:IRCCopeRearrangement MM.gif No edit summary current
- 09:4909:49, 27 January 2016 diff hist +427 Rep:MM5713TSAR →Optimizing the "Chair" and "Boat" Transition Structures
- 09:4709:47, 27 January 2016 diff hist 0 N File:BOAT TS PART G B3LYP.LOG No edit summary current
- 09:4709:47, 27 January 2016 diff hist 0 N File:CHAIR TS PART G B3LYP.LOG No edit summary current
- 09:4509:45, 27 January 2016 diff hist 0 N File:CHAIR TS PART F OPT1.LOG No edit summary current
- 09:4409:44, 27 January 2016 diff hist 0 N File:CHAIR TS PART F.LOG No edit summary current
- 09:4209:42, 27 January 2016 diff hist 0 N File:BOAT TS PART E PT2.LOG No edit summary current
- 09:4109:41, 27 January 2016 diff hist 0 N File:BOAT TS PART E PT1.LOG No edit summary current
- 09:3809:38, 27 January 2016 diff hist 0 N File:CHAIR TS PART D.LOG No edit summary current
- 09:3709:37, 27 January 2016 diff hist 0 N File:CHAIR TS PART C.LOG No edit summary current
- 09:3509:35, 27 January 2016 diff hist 0 N File:CHAIR TS PART B.LOG No edit summary current
- 09:3409:34, 27 January 2016 diff hist 0 N File:ALLYL OPTIMISATION 3-21G.LOG No edit summary current
- 09:3109:31, 27 January 2016 diff hist +246 Rep:MM5713TSAR →Optimizing the Reactants and Products
- 09:3109:31, 27 January 2016 diff hist 0 N File:HEXADIENE ANTI B3LYP 6-31G(D) FREQUENCY.LOG No edit summary current
- 09:2809:28, 27 January 2016 diff hist 0 N File:HEXADIENE ANTI B3LYP 6-31G(D).LOG No edit summary current
- 09:2709:27, 27 January 2016 diff hist 0 N File:HEXADIENE ANTI.LOG No edit summary current
- 09:2509:25, 27 January 2016 diff hist 0 N File:HEXADIENE GAUCHE.LOG No edit summary current
- 09:2309:23, 27 January 2016 diff hist 0 N File:HEXADIENE GAUCHE 2.LOG No edit summary current
- 09:1909:19, 27 January 2016 diff hist +45 Rep:MM5713TSAR →Optimization of 1,5-Hexadiene with an Antiperiplanar Conformation of the Four Central C Atoms
- 09:1909:19, 27 January 2016 diff hist 0 N File:HEXADIENE ANTI 2 MM.LOG No edit summary current
- 09:1509:15, 27 January 2016 diff hist −13 Rep:MM5713TSAR →Optimization of the Boat Transition Structure by the QST2 Method
- 09:1409:14, 27 January 2016 diff hist −1 Rep:MM5713TSAR →Optimization of the Boat Transition Structure by the QST2 Method
- 09:1409:14, 27 January 2016 diff hist 0 N File:TestBoatImaginaryFrequency MM.gif No edit summary current
- 09:1109:11, 27 January 2016 diff hist −1 Rep:MM5713TSAR →Optimization of the Boat Transition Structure by the QST2 Method
- 09:0909:09, 27 January 2016 diff hist +11 Rep:MM5713TSAR →Optimization of the Chair Transition Structure by Employing the Frozen Coordinate Method
- 09:0809:08, 27 January 2016 diff hist −4 Rep:MM5713TSAR →Anti2 Conformer Optimization at the B3LYP/6-31G* Level of Theory
- 09:0709:07, 27 January 2016 diff hist +130 Rep:MM5713TSAR →Location of the Endo and Exo Transition Structures