User contributions for Cpc112
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23 March 2015
- 19:2319:23, 23 March 2015 diff hist +101 Rep:Mod:2cpc112 →QST2 Transition State Calculation
- 19:2319:23, 23 March 2015 diff hist 0 N File:CPC Boat Guess2.gif No edit summary current
- 19:2119:21, 23 March 2015 diff hist +2 Rep:Mod:2cpc112 →QST2 Transition State Calculation
- 19:1919:19, 23 March 2015 diff hist +209 Rep:Mod:2cpc112 →QST2 Transition State Calculation
- 19:1819:18, 23 March 2015 diff hist −4 Rep:Mod:2cpc112 →QST2 Transition State Calculation
- 19:1819:18, 23 March 2015 diff hist 0 N File:CPC Boat Guess2.mol No edit summary current
- 19:1519:15, 23 March 2015 diff hist −89 Rep:Mod:2cpc112 →Comparison
- 19:1419:14, 23 March 2015 diff hist −24 Rep:Mod:2cpc112 →Comparison
- 19:0919:09, 23 March 2015 diff hist −8 Rep:Mod:2cpc112 →Comparison
- 19:0719:07, 23 March 2015 diff hist −117 Rep:Mod:2cpc112 →Comparison
- 19:0519:05, 23 March 2015 diff hist −2 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 19:0519:05, 23 March 2015 diff hist 0 N File:CPC Chair Two.mol No edit summary current
- 19:0419:04, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 19:0319:03, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Redundant (Frozen) Coordinate Transition State Calculation
- 19:0219:02, 23 March 2015 diff hist −5 Rep:Mod:2cpc112 →Comparison
- 19:0119:01, 23 March 2015 diff hist +691 Rep:Mod:2cpc112 →Comparison
- 18:5818:58, 23 March 2015 diff hist −4 Rep:Mod:2cpc112 →Comparison
- 18:5818:58, 23 March 2015 diff hist +2 Rep:Mod:2cpc112 →Comparison
- 18:5718:57, 23 March 2015 diff hist +214 Rep:Mod:2cpc112 →Redundant (Frozen) Coordinate Transition State Calculation
- 18:5718:57, 23 March 2015 diff hist 0 N File:CPC Chair Frozen2.mol No edit summary current
- 18:5618:56, 23 March 2015 diff hist 0 N File:CPC Chair Frozen2.chk No edit summary current
- 18:5518:55, 23 March 2015 diff hist −3 Rep:Mod:2cpc112 →Redundant (Frozen) Coordinate Transition State Calculation
- 18:5418:54, 23 March 2015 diff hist −2 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 18:5318:53, 23 March 2015 diff hist 0 N File:CPC Chair Two Frequency.gif No edit summary current
- 18:4818:48, 23 March 2015 diff hist +70 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 18:4718:47, 23 March 2015 diff hist −2 Rep:Mod:2cpc112 →Redundant (Frozen) Coordinate Transition State Calculation
- 18:4618:46, 23 March 2015 diff hist −6 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 18:4618:46, 23 March 2015 diff hist +46 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 18:4518:45, 23 March 2015 diff hist 0 N File:CPC Chair FrozenFrequency.gif No edit summary current
- 18:4018:40, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 18:3818:38, 23 March 2015 diff hist −3 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 18:3818:38, 23 March 2015 diff hist 0 N File:CPC Chair Guess.mol No edit summary current
- 18:3718:37, 23 March 2015 diff hist +10 Rep:Mod:2cpc112 →Density Functional Theory (DFT) Approach
- 18:3618:36, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Density Functional Theory (DFT) Approach
- 18:3618:36, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 18:3518:35, 23 March 2015 diff hist −3 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 18:3518:35, 23 March 2015 diff hist +215 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 18:3318:33, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Berny Transition State Calculation
- 18:3318:33, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Density Functional Theory (DFT) Approach
- 18:3318:33, 23 March 2015 diff hist +206 Rep:Mod:2cpc112 →Optimisation of the Chair and Boat Transition Structures
- 18:3118:31, 23 March 2015 diff hist 0 N File:CPC Allyl Fragment.mol No edit summary current
- 18:2918:29, 23 March 2015 diff hist +1 Rep:Mod:2cpc112 →Frequency Analysis and Thermodynamic Properties
- 18:2918:29, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Frequency Analysis and Thermodynamic Properties
- 18:2818:28, 23 March 2015 diff hist +79 Rep:Mod:2cpc112 →Frequency Analysis and Thermodynamic Properties
- 18:2718:27, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Frequency Analysis and Thermodynamic Properties
- 18:2618:26, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Density Functional Theory (DFT) Approach
- 18:2418:24, 23 March 2015 diff hist +101 Rep:Mod:2cpc112 →Frequency Analysis and Thermodynamic Properties
- 18:2118:21, 23 March 2015 diff hist 0 Rep:Mod:2cpc112 →Density Functional Theory (DFT) Approach
- 18:2118:21, 23 March 2015 diff hist +93 Rep:Mod:2cpc112 →Density Functional Theory (DFT) Approach
- 18:1918:19, 23 March 2015 diff hist +36 Rep:Mod:2cpc112 →Density Functional Theory (DFT) Approach