User contributions for Pl1208
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17 March 2011
- 23:3323:33, 17 March 2011 diff hist +100 Rep:Sunkiss pl1208 3 →Process Under taken towards Hessian Implementation
- 23:1823:18, 17 March 2011 diff hist +314 Rep:Sunkiss pl1208 3 →Process Under taken towards Hessian Implementation
- 23:0623:06, 17 March 2011 diff hist +1,206 Rep:Sunkiss pl1208 3 →Optimizing the "Chair" and "Boat" Transition Structures
- 22:5122:51, 17 March 2011 diff hist +234 Rep:Sunkiss pl1208 3 →Thermochemistry Analysis via DFT/6-31G (d)
- 22:4322:43, 17 March 2011 diff hist +168 Rep:Sunkiss pl1208 3 →Comparison of HF optimisation against DFT optimisation
- 22:4122:41, 17 March 2011 diff hist +2 Rep:Sunkiss pl1208 3 →Optimizing the "Chair" and "Boat" Transition Structures
- 22:4022:40, 17 March 2011 diff hist +59 Rep:Sunkiss pl1208 3 →Thermochemistry Analysis via DFT/6-31G (d)
- 22:2822:28, 17 March 2011 diff hist +3 Rep:Sunkiss pl1208 3 →Thermochemistry Analysis via DFT/6-31G (d)
- 21:5821:58, 17 March 2011 diff hist +2,964 Rep:Sunkiss pl1208 3 →Thermochemistry Analysis via DFT/6-31G (d)
- 21:4021:40, 17 March 2011 diff hist 0 N File:Log 41590 pl12082.out No edit summary current
- 21:2521:25, 17 March 2011 diff hist +183 Rep:Sunkiss pl1208 3 →Vibrational Frequency Analysis of the Reactants and Products
- 21:2121:21, 17 March 2011 diff hist 0 N File:Summary adPL1208.JPG No edit summary current
- 21:2021:20, 17 March 2011 diff hist 0 N File:Log 41590.out No edit summary current
- 21:0821:08, 17 March 2011 diff hist +690 Rep:Sunkiss pl1208 3 →Vibrational Frequency Analysis of the Reactants and Products
- 20:5720:57, 17 March 2011 diff hist +1,650 Rep:Sunkiss pl1208 3 →Vibrational Frequency Analysis of the Reactants and Products
- 20:5720:57, 17 March 2011 diff hist 0 N File:Log 41536 pl1208.out No edit summary current
- 20:5420:54, 17 March 2011 diff hist 0 N File:Lowfreq failed pl1208.bmp No edit summary current
- 20:4320:43, 17 March 2011 diff hist +5 Rep:Sunkiss pl1208 3 →Results and Analysis
- 20:3520:35, 17 March 2011 diff hist 0 Rep:Sunkiss pl1208 3 →Cope Rearrangement with specific reference to the 1,5-Hexadiene
- 18:3218:32, 17 March 2011 diff hist +1 Rep:Sunkiss pl1208 3 →Comparison of HF optimisation against DFT optimisation
- 18:3218:32, 17 March 2011 diff hist +99 Rep:Sunkiss pl1208 3 →Comparison of HF optimisation against DFT optimisation
- 18:3118:31, 17 March 2011 diff hist 0 N File:Log 41531 pl1208.out No edit summary current
- 18:3018:30, 17 March 2011 diff hist +1 Rep:Sunkiss pl1208 3 →Results and Analysis
- 18:2918:29, 17 March 2011 diff hist +499 Rep:Sunkiss pl1208 3 →Results and Analysis
- 18:2918:29, 17 March 2011 diff hist 0 N File:GAUCHE 4 pl1208.LOG No edit summary current
- 18:2818:28, 17 March 2011 diff hist 0 N File:GAUCHE 2 pl1208.LOG No edit summary current
- 18:2718:27, 17 March 2011 diff hist 0 N File:GAUCHE 1 pl1208.LOG No edit summary current
- 18:2518:25, 17 March 2011 diff hist 0 N File:ANTI 3 pl1208 2.LOG No edit summary current
- 18:2418:24, 17 March 2011 diff hist 0 N File:ANTI 2 pl12082.LOG No edit summary current
- 18:2218:22, 17 March 2011 diff hist 0 N File:ANTI 1pl1208.LOG No edit summary current
- 18:1518:15, 17 March 2011 diff hist 0 N File:C-h angles pl1208 2.bmp No edit summary current
- 18:1518:15, 17 March 2011 diff hist +83 Rep:Sunkiss pl1208 3 →Comparison of HF optimisation against DFT optimisation
- 18:1118:11, 17 March 2011 diff hist 0 N File:C-h angles pl1208 1.bmp No edit summary current
- 17:5117:51, 17 March 2011 diff hist 0 N File:C-c bond pl1208 2.bmp No edit summary current
- 17:5117:51, 17 March 2011 diff hist 0 N File:C-c bond pl1208.bmp No edit summary current
- 17:4217:42, 17 March 2011 diff hist +86 Rep:Sunkiss pl1208 3 →Comparison of HF optimisation against DFT optimisation
- 17:4217:42, 17 March 2011 diff hist 0 N File:C-h bond pl1208.bmp No edit summary current
- 17:3617:36, 17 March 2011 diff hist 0 N File:Anti 2- C-H BOND PL1208.bmp No edit summary current
- 17:3617:36, 17 March 2011 diff hist 0 N File:Anti 211232 PL1208.bmp No edit summary current
- 17:3517:35, 17 March 2011 diff hist 0 N File:Anti 211 PL1208.bmp No edit summary current
- 17:2017:20, 17 March 2011 diff hist 0 N File:Anti 2 pl1208 631.bmp No edit summary current
- 17:1717:17, 17 March 2011 diff hist 0 N File:Anti 2 pl1208.bmp No edit summary current
- 17:0217:02, 17 March 2011 diff hist +51 Rep:Sunkiss pl1208 3 →Comparison of HF optimisation against DFT optimisation
- 17:0017:00, 17 March 2011 diff hist 0 N File:Molecule pl1208 dft.JPG No edit summary current
- 16:5916:59, 17 March 2011 diff hist 0 N File:6-31gd ci pl1208.mol No edit summary current
- 16:5816:58, 17 March 2011 diff hist 0 N File:Summary 6-31G(d).JPG No edit summary current
- 16:5616:56, 17 March 2011 diff hist +107 Rep:Sunkiss pl1208 3 →Results and Analysis
- 16:5516:55, 17 March 2011 diff hist 0 N File:Graph comparison pl1208 1.JPG No edit summary current
- 16:3416:34, 17 March 2011 diff hist +221 Rep:Sunkiss pl1208 3 →Results and Analysis
- 16:3116:31, 17 March 2011 diff hist 0 N File:Gauche 3 pl1208.mol No edit summary current