User contributions for Xl7712
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6 November 2015
- 14:2414:24, 6 November 2015 diff hist 0 N File:Animation of DA ts imaginary freq at -93dot39XL7712.jpg No edit summary current
- 14:1914:19, 6 November 2015 diff hist −3 Rep:TSR:LLL2333 No edit summary
- 14:1814:18, 6 November 2015 diff hist −5 Rep:TSR:LLL2333 →iii) Regioselectivity of the Diels Alder Reaction
- 14:1814:18, 6 November 2015 diff hist +205 Rep:TSR:LLL2333 No edit summary
- 14:1714:17, 6 November 2015 diff hist 0 N File:Exo productXL7712.jpg No edit summary current
- 14:1614:16, 6 November 2015 diff hist 0 N File:Exo reactantXL7712.jpg No edit summary current
- 14:1414:14, 6 November 2015 diff hist 0 N File:Exo tsXL7712.jpg No edit summary current
- 14:1014:10, 6 November 2015 diff hist +76 Rep:TSR:LLL2333 No edit summary
- 14:0914:09, 6 November 2015 diff hist +201 Rep:TSR:LLL2333 No edit summary
- 14:0814:08, 6 November 2015 diff hist 0 N File:Endo productXL7712.jpg No edit summary current
- 14:0514:05, 6 November 2015 diff hist 0 N File:Endo tsXL7712.jpg No edit summary current
- 14:0014:00, 6 November 2015 diff hist +419 Rep:TSR:LLL2333 No edit summary
- 13:5813:58, 6 November 2015 diff hist 0 N File:Endo reactantXL7712.jpg No edit summary current
- 13:5613:56, 6 November 2015 diff hist 0 N File:Maleic anhydride optXL7712.jpg No edit summary current
- 13:4813:48, 6 November 2015 diff hist 0 N File:Hexacyclodiene optXL7712.jpg No edit summary current
- 13:2513:25, 6 November 2015 diff hist +11 Rep:TSR:LLL2333 No edit summary
- 12:1212:12, 6 November 2015 diff hist +76 Rep:TSR:LLL2333 →(e)QST2: Optimization of the Boat Transition State by Providing the Reactant and Relevant Product
- 12:1012:10, 6 November 2015 diff hist +221 Rep:TSR:LLL2333 →(e)QST2: Optimization of the Boat Transition State by Providing the Reactant and Relevant Product
- 12:0212:02, 6 November 2015 diff hist +291 Rep:TSR:LLL2333 →(e)QST2 method: optimization of the transition state by providing the reactant and relevant product
- 11:5211:52, 6 November 2015 diff hist +31 Rep:TSR:LLL2333 →(c)(d)optimization of the guess transition state with the frozen reaction coordinates
- 11:5111:51, 6 November 2015 diff hist +308 Rep:TSR:LLL2333 →(b) Optimization of the Guess TS by Computing the Force Constant Matrix (also known as the Hessian) in the First Step which will then be Updated as the Optimization Proceeds
- 11:2511:25, 6 November 2015 diff hist −2 Rep:TSR:LLL2333 →(b) Optimization of the Guess TS by Computing the Force Constant Matrix (also known as the Hessian) in the First Step which will then be Updated as the Optimization Proceeds
- 11:2511:25, 6 November 2015 diff hist 0 Rep:TSR:LLL2333 →(b) Optimization of the Guess TS by Computing the Force Constant Matrix (also known as the Hessian) in the First Step which will then be Updated as the Optimization Proceeds
- 11:2411:24, 6 November 2015 diff hist −4 Rep:TSR:LLL2333 →(a)Create a Guess Structure for Chair Transition State of Cope Rearrangement
- 11:2311:23, 6 November 2015 diff hist +3 Rep:TSR:LLL2333 →Optimization of the Same Conformer Using Different Theoretical Methods to Compare the Change in its Geometry
- 11:2011:20, 6 November 2015 diff hist +125 Rep:TSR:LLL2333 No edit summary
- 10:5110:51, 6 November 2015 diff hist −1 Rep:TSR:LLL2333 →optimization of different conformers finding their local minimum energies and the correspondent geometries
- 10:4910:49, 6 November 2015 diff hist +4 Rep:TSR:LLL2333 →Optimizing the Reactants and Products
- 10:4710:47, 6 November 2015 diff hist +648 Rep:TSR:LLL2333 No edit summary
- 09:0609:06, 6 November 2015 diff hist +23 Rep:TSR:LLL2333 →(a)create a guess structure for chair transition state of Cope rearrangement
- 08:4908:49, 6 November 2015 diff hist +201 Rep:TSR:LLL2333 No edit summary
5 November 2015
- 18:1518:15, 5 November 2015 diff hist 0 Rep:TSR:LLL2333 No edit summary
- 18:1118:11, 5 November 2015 diff hist 0 Rep:TSR:LLL2333 No edit summary
- 14:2014:20, 5 November 2015 diff hist +2 Rep:TSR:LLL2333 No edit summary
- 14:1814:18, 5 November 2015 diff hist +330 Rep:TSR:LLL2333 No edit summary
- 14:0414:04, 5 November 2015 diff hist 0 Rep:TSR:LLL2333 No edit summary
- 14:0414:04, 5 November 2015 diff hist 0 Rep:TSR:LLL2333 No edit summary
- 14:0214:02, 5 November 2015 diff hist 0 Rep:TSR:LLL2333 No edit summary
- 14:0114:01, 5 November 2015 diff hist +176 Rep:TSR:LLL2333 No edit summary
- 13:4813:48, 5 November 2015 diff hist +44 Rep:TSR:LLL2333 No edit summary
- 13:2613:26, 5 November 2015 diff hist +11 Rep:TSR:LLL2333 →visualize vibrational frequencies and correct potential energies in order to compare them with experimental values
- 13:2413:24, 5 November 2015 diff hist +2 Rep:TSR:LLL2333 No edit summary
- 12:5412:54, 5 November 2015 diff hist +39 Rep:TSR:LLL2333 No edit summary
- 12:5212:52, 5 November 2015 diff hist +50 Rep:TSR:LLL2333 No edit summary
4 November 2015
- 22:5022:50, 4 November 2015 diff hist +242 Rep:TSR:LLL2333 No edit summary
- 19:5919:59, 4 November 2015 diff hist −26 Rep:TSR:LLL2333 No edit summary
- 18:2418:24, 4 November 2015 diff hist −38 Rep:TSR:LLL2333 No edit summary
- 18:2318:23, 4 November 2015 diff hist +498 Rep:TSR:LLL2333 No edit summary
- 17:5517:55, 4 November 2015 diff hist −1 Rep:TSR:LLL2333 No edit summary
- 17:5517:55, 4 November 2015 diff hist −2 Rep:TSR:LLL2333 No edit summary