User contributions for Xj1213
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9 March 2016
- 11:1311:13, 9 March 2016 diff hist −52 Rep:MOD:xj1213TS →Optimization of Chair TS with Guess Method
- 00:2000:20, 9 March 2016 diff hist +1 m Rep:MOD:xj1213TS →Optimization of cis-butadiene and ethylene TS
- 00:0200:02, 9 March 2016 diff hist +573 Rep:MOD:xj1213TS →Optimization of cis-butadiene and ethylene TS
8 March 2016
- 23:5823:58, 8 March 2016 diff hist 0 N File:DA1 TS OPT AM14.LOG No edit summary current
- 23:4223:42, 8 March 2016 diff hist +729 Rep:MOD:xj1213TS →Optimization of cis-butadiene and ethylene
- 23:2223:22, 8 March 2016 diff hist +378 Rep:MOD:xj1213TS →Optimization of cis-butadiene and ethylene
- 23:1523:15, 8 March 2016 diff hist 0 N File:TRANSBUTADIENE OPTFREQ AM1.LOG No edit summary current
- 23:0023:00, 8 March 2016 diff hist −12 m Rep:MOD:xj1213TS →Diels Alder Cycloaddition of cis-butadiene and ethylene
- 21:1921:19, 8 March 2016 diff hist +595 Rep:MOD:xj1213TS →The Diels-Alder Cycloaddition
- 19:2819:28, 8 March 2016 diff hist −336 Rep:MOD:xj1213TS →The Diels-Alder Cycloaddition
- 18:4218:42, 8 March 2016 diff hist +793 Rep:MOD:xj1213TS →Activation Energies
- 18:3118:31, 8 March 2016 diff hist +388 m Rep:MOD:xj1213TS →Activation Energies
- 18:1818:18, 8 March 2016 diff hist +62 Rep:MOD:xj1213TS →Activation Energies
- 18:0518:05, 8 March 2016 diff hist 0 Rep:MOD:xj1213TS →Activation Energies
- 17:5717:57, 8 March 2016 diff hist +2,352 Rep:MOD:xj1213TS →Activation Energies
- 17:0417:04, 8 March 2016 diff hist +330 Rep:MOD:xj1213TS →Optimization of Chair and Boat TS with B2LYP/6-31G(d)
- 16:3316:33, 8 March 2016 diff hist +81 Rep:MOD:xj1213TS →Optimization to Boat TS Using QST2
- 16:2016:20, 8 March 2016 diff hist +1 m Rep:MOD:xj1213TS →Optimization to Boat TS Using QST2
- 16:1516:15, 8 March 2016 diff hist +951 Rep:MOD:xj1213TS →Optimization to Boat TS Using QST2
- 11:2811:28, 8 March 2016 diff hist −148 Rep:MOD:xj1213TS →Optimization of Chair and Boat TS with B2LYP/6-31G(d)
- 11:2011:20, 8 March 2016 diff hist −24 m Rep:MOD:xj1213TS →Intrinsic Reaction Coordinate of Chair TS
- 11:1511:15, 8 March 2016 diff hist 0 m Rep:MOD:xj1213TS →Optimization of Chair TS with Guess Method
- 01:1001:10, 8 March 2016 diff hist −2 Rep:MOD:xj1213TS →Intrinsic Reaction Coordinate of Chair TS
- 00:5400:54, 8 March 2016 diff hist +807 Rep:MOD:xj1213TS →Intrinsic Reaction Coordinate of Chair TS
- 00:2900:29, 8 March 2016 diff hist +3 Rep:MOD:xj1213TS →Intrinsic Reaction Coordinate of Chair TS
- 00:2000:20, 8 March 2016 diff hist +605 Rep:MOD:xj1213TS →Intrinsic Reaction Coordinate of Chair TS
- 00:0100:01, 8 March 2016 diff hist 0 N File:Xj1213CHAIR TS GUESS FREEZ5 IRC SEC.LOG No edit summary current
7 March 2016
- 22:2722:27, 7 March 2016 diff hist +742 Rep:MOD:xj1213TS →Comparison of Guess and Frozen Coordinates Method
- 21:4621:46, 7 March 2016 diff hist 0 Rep:MOD:xj1213TS →Optimization of Chair TS with the Frozen Method
- 21:4121:41, 7 March 2016 diff hist +16 Rep:MOD:xj1213TS →Optimization of Chair TS with the Frozen Method
- 21:3721:37, 7 March 2016 diff hist 0 N File:Xj1212Chair xj1213 freezzzzzz.LOG No edit summary current
- 21:2621:26, 7 March 2016 diff hist +22 Rep:MOD:xj1213TS →Optimizing the "Chair" and "Boat" Transition Structures
- 21:0221:02, 7 March 2016 diff hist −124 Rep:MOD:xj1213TS →Optimization of Chair TS with the Frozen Method
- 20:4520:45, 7 March 2016 diff hist +159 Rep:MOD:xj1213TS →Optimization of Chair TS with Guess Method
- 20:2820:28, 7 March 2016 diff hist 0 N File:Xj1213ALLYL HF321G OPT.LOG No edit summary current
- 20:2120:21, 7 March 2016 diff hist +1,104 Rep:MOD:xj1213TS →Optimizing the "Chair" and "Boat" Transition Structures
- 19:4919:49, 7 March 2016 diff hist +1,285 Rep:MOD:xj1213TS →Optimizing the Reactants and Products
- 19:4519:45, 7 March 2016 diff hist 0 N File:Xj121315HEXADIENE ANTI2 FREQ2.LOG No edit summary current
- 19:4019:40, 7 March 2016 diff hist 0 N File:Xj121315HEXADIENE ANTI2.LOG No edit summary current
- 19:3219:32, 7 March 2016 diff hist −5 Rep:MOD:xj1213TS →Thermochemitry
- 19:1619:16, 7 March 2016 diff hist +165 Rep:MOD:xj1213TS →Optimization of 1,5-hexadiene Conformers
- 19:1219:12, 7 March 2016 diff hist 0 N File:Xj121315HEXADIENE GAUCHE3.LOG No edit summary current
- 19:0619:06, 7 March 2016 diff hist 0 N File:Xj121315HEXADIENE GAUCHE.LOG No edit summary current
- 18:4818:48, 7 March 2016 diff hist +12 Rep:MOD:xj1213TS →The Cope Rearrangement Tutorial
- 18:3518:35, 7 March 2016 diff hist −16 Rep:MOD:xj1213TS →The Cope Rearrangement Tutorial
- 18:2118:21, 7 March 2016 diff hist +22 Rep:MOD:xj1213TS →The Cope Rearrangement Tutorial
- 16:4216:42, 7 March 2016 diff hist +3,272 Rep:MOD:xj1213TS →The Cope Rearrangement Tutorial
- 13:4713:47, 7 March 2016 diff hist −86 Rep:MOD:xj1213TS →Optimization of 1,5-hexadiene Conformers
- 13:4013:40, 7 March 2016 diff hist −55 Rep:MOD:xj1213TS →Optimization of 1,5-hexadiene Conformers
- 13:3213:32, 7 March 2016 diff hist +920 Rep:MOD:xj1213TS →Optimizing the Reactants and Products