User contributions for Xl7712
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6 November 2015
- 16:5916:59, 6 November 2015 diff hist −28 Rep:TSR:LLL2333 →(g)Calculation of Activation for chair and boat transition states
- 16:5816:58, 6 November 2015 diff hist −52 Rep:TSR:LLL2333 →Visualize Vibrational Frequencies and Correct the Potential Energies to Compare with Experimental Values
- 16:5716:57, 6 November 2015 diff hist +23 Rep:TSR:LLL2333 →(e)QST2: Optimization of the Boat Transition State by Providing the Reactant and Relevant Product
- 16:5616:56, 6 November 2015 diff hist −8 Rep:TSR:LLL2333 →(a)Create a Guess Structure for Chair Transition State of Cope Rearrangement
- 16:5416:54, 6 November 2015 diff hist +121 Rep:TSR:LLL2333 →(c)(d)optimization of the guess transition state with the frozen reaction coordinates
- 16:5116:51, 6 November 2015 diff hist −32 Rep:TSR:LLL2333 →(c)(d)optimization of the guess transition state with the frozen reaction coordinates
- 16:5116:51, 6 November 2015 diff hist 0 Rep:TSR:LLL2333 →(e)QST2: Optimization of the Boat Transition State by Providing the Reactant and Relevant Product
- 16:4816:48, 6 November 2015 diff hist −1 Rep:TSR:LLL2333 →(e)QST2: Optimization of the Boat Transition State by Providing the Reactant and Relevant Product
- 16:4816:48, 6 November 2015 diff hist +45 Rep:TSR:LLL2333 →(e)QST2: Optimization of the Boat Transition State by Providing the Reactant and Relevant Product
- 16:4516:45, 6 November 2015 diff hist +93 Rep:TSR:LLL2333 →(e)QST2: Optimization of the Boat Transition State by Providing the Reactant and Relevant Product
- 16:4316:43, 6 November 2015 diff hist +12 Rep:TSR:LLL2333 →iii) Stereoselectivity of the Diels Alder Reaction
- 16:3116:31, 6 November 2015 diff hist +135 Rep:TSR:LLL2333 →iii) Stereoselectivity of the Diels Alder Reaction
- 16:2416:24, 6 November 2015 diff hist +28 Rep:TSR:LLL2333 →iii) Stereoselectivity of the Diels Alder Reaction
- 16:2216:22, 6 November 2015 diff hist +1 Rep:TSR:LLL2333 →iii) Regioselectivity of the Diels Alder Reaction
- 16:2016:20, 6 November 2015 diff hist −401 Rep:TSR:LLL2333 →iii) Regioselectivity of the Diels Alder Reaction
- 16:1916:19, 6 November 2015 diff hist +367 Rep:TSR:LLL2333 →iii) Regioselectivity of the Diels Alder Reaction
- 16:1416:14, 6 November 2015 diff hist +147 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 16:0416:04, 6 November 2015 diff hist +172 Rep:TSR:LLL2333 →iii) Regioselectivity of the Diels Alder Reaction
- 16:0016:00, 6 November 2015 diff hist +150 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:5615:56, 6 November 2015 diff hist −44 Rep:TSR:LLL2333 →i)HOMO and LUMO of butadiene
- 15:5515:55, 6 November 2015 diff hist +24 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:5315:53, 6 November 2015 diff hist +102 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:4415:44, 6 November 2015 diff hist +149 Rep:TSR:LLL2333 →The Diels Alder Cycloaddition
- 15:3715:37, 6 November 2015 diff hist +3 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:3615:36, 6 November 2015 diff hist −3 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:3615:36, 6 November 2015 diff hist −3 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:3615:36, 6 November 2015 diff hist −1 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:3515:35, 6 November 2015 diff hist +3 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:3515:35, 6 November 2015 diff hist −3 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:3415:34, 6 November 2015 diff hist +71 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:3115:31, 6 November 2015 diff hist +92 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:2915:29, 6 November 2015 diff hist +70 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:2715:27, 6 November 2015 diff hist +60 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:2215:22, 6 November 2015 diff hist +30 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:2215:22, 6 November 2015 diff hist −1 Rep:TSR:LLL2333 →i)HOMO and LUMO of butadiene
- 15:2015:20, 6 November 2015 diff hist +1 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:1915:19, 6 November 2015 diff hist −5 Rep:TSR:LLL2333 →i)HOMO and LUMO of butadiene
- 15:1515:15, 6 November 2015 diff hist +2 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 15:1415:14, 6 November 2015 diff hist +1 Rep:TSR:LLL2333 →The Diels Alder Cycloaddition
- 15:1315:13, 6 November 2015 diff hist +53 Rep:TSR:LLL2333 No edit summary
- 15:1215:12, 6 November 2015 diff hist +319 Rep:TSR:LLL2333 No edit summary
- 14:5114:51, 6 November 2015 diff hist +34 Rep:TSR:LLL2333 →The Diels Alder Cycloaddition
- 14:3814:38, 6 November 2015 diff hist +164 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 14:3614:36, 6 November 2015 diff hist 0 N File:DA ts trial3 LUMOXL7712.jpg No edit summary current
- 14:3614:36, 6 November 2015 diff hist 0 N File:DA ts trial3 HOMOXL7712.jpg No edit summary current
- 14:3514:35, 6 November 2015 diff hist +6 Rep:TSR:LLL2333 No edit summary
- 14:3314:33, 6 November 2015 diff hist −5 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 14:3114:31, 6 November 2015 diff hist +194 Rep:TSR:LLL2333 →The Diels Alder Cycloaddition
- 14:2714:27, 6 November 2015 diff hist +35 Rep:TSR:LLL2333 →ii) Computation of the Transition State geometry for the prototype reaction and an examination of the nature of the reaction path.
- 14:2514:25, 6 November 2015 diff hist 0 N File:DA ts trial3 optXL7712.jpg No edit summary current