User contributions for Gp1510
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1 November 2012
- 21:1121:11, 1 November 2012 diff hist 0 N File:Chair ts opt 631G attempt7.mol No edit summary current
- 21:1121:11, 1 November 2012 diff hist 0 N File:Boat ts opt 631G attempt2.mol No edit summary current
- 21:1121:11, 1 November 2012 diff hist 0 N File:Boat ts opt 631G summary.png No edit summary current
- 21:1121:11, 1 November 2012 diff hist 0 N File:Chair ts opt 631G summary.png No edit summary current
- 21:1021:10, 1 November 2012 diff hist +791 Rep:Mod:3GPPHYS →IRC calculation
- 20:4420:44, 1 November 2012 diff hist +141 Rep:Mod:3GPPHYS →Boat transition structure
- 20:4020:40, 1 November 2012 diff hist 0 N File:Boat ts IRC attempt2.mol No edit summary current
- 20:4020:40, 1 November 2012 diff hist 0 N File:Boat ts IRC attempt4 log3 RMSgradient.png No edit summary current
- 20:4020:40, 1 November 2012 diff hist 0 N File:Boat ts IRC summary.png No edit summary current
- 20:3820:38, 1 November 2012 diff hist +1,060 Rep:Mod:3GPPHYS →Chair transition structure
- 20:0420:04, 1 November 2012 diff hist 0 N File:Chair ts IRC attempt4 log3 summary.png No edit summary current
- 20:0420:04, 1 November 2012 diff hist 0 N File:Chair ts IRC attempt4 log3 RMSgradient.png No edit summary current
- 20:0420:04, 1 November 2012 diff hist 0 N File:Chair ts IRC attempt4 log3.mol No edit summary current
- 18:0618:06, 1 November 2012 diff hist +142 Rep:Mod:3GPPHYS →Boat Transition state optimization using QST2 method
- 18:0418:04, 1 November 2012 diff hist 0 N File:Ci opt freq part2 movie.gif No edit summary current
- 18:0318:03, 1 November 2012 diff hist 0 N File:Ci opt freq part2 summary.png No edit summary current
- 18:0318:03, 1 November 2012 diff hist 0 File:Ci opt freq part2.mol uploaded a new version of "File:Ci opt freq part2.mol" current
- 18:0218:02, 1 November 2012 diff hist 0 N File:Ci opt freq 1 attempt3 summary.png No edit summary current
- 17:5917:59, 1 November 2012 diff hist +445 Rep:Mod:3GPPHYS →Boat Transition state optimization using QST2 method
- 17:5617:56, 1 November 2012 diff hist 0 N File:Ci opt freq part2.mol No edit summary
- 17:5217:52, 1 November 2012 diff hist +462 Rep:Mod:3GPPHYS No edit summary
- 17:1117:11, 1 November 2012 diff hist 0 N File:Chair ts freq attempt2 freeze part2.gif No edit summary current
- 17:1017:10, 1 November 2012 diff hist −130 Rep:Mod:3GPPHYS No edit summary
- 17:0817:08, 1 November 2012 diff hist +360 Rep:Mod:3GPPHYS →Boat Transition state optimization using QST2 method
- 17:0117:01, 1 November 2012 diff hist +441 Rep:Mod:3GPPHYS →Chair transition state Optimization to a TS (Berny)(guess) freeze method
- 16:5416:54, 1 November 2012 diff hist 0 N File:Chair ts freq attempt2 freeze part2.png No edit summary current
- 16:5416:54, 1 November 2012 diff hist 0 N File:Chair ts opt attempt2.png No edit summary current
- 16:5416:54, 1 November 2012 diff hist 0 N File:Chair ts opt attempt2 freeze part2 summary.png No edit summary current
- 16:5316:53, 1 November 2012 diff hist +560 Rep:Mod:3GPPHYS →Chair transition state Optimization to a TS (Berny)(guess) freeze method
- 16:3816:38, 1 November 2012 diff hist +1 Rep:Mod:3GPPHYS →Chair transition state Optimization to a TS (Berny)(guess)
- 16:3716:37, 1 November 2012 diff hist +1,653 Rep:Mod:3GPPHYS →Optimizing the "Chair" and "Boat" Transition Structures
- 15:5215:52, 1 November 2012 diff hist −7 Rep:Mod:3GPPHYS →The cope rearrangement tutorial
- 15:4915:49, 1 November 2012 diff hist +3 Rep:Mod:3GPPHYS →Anti 2 conformer of 1,5-hexadiene Thermochemical data
- 15:4815:48, 1 November 2012 diff hist +615 Rep:Mod:3GPPHYS →Optimization of 1,5-hexadiene with an "anti" linkage
- 14:5514:55, 1 November 2012 diff hist 0 N File:Anti 2 mode38.gif No edit summary current
- 14:5514:55, 1 November 2012 diff hist 0 N File:Anti 2 mode32.gif No edit summary current
- 14:5414:54, 1 November 2012 diff hist 0 N File:Anti 2 mode9.gif No edit summary current
- 14:5414:54, 1 November 2012 diff hist +708 Rep:Mod:3GPPHYS →1,5-hexadiene Ci anti 2 optimization and frequency B3LYP/6-31G* level
- 13:2413:24, 1 November 2012 diff hist +779 Rep:Mod:3GPPHYS →1,5-hexadiene Ci anti 2 optimization and frequency B3LYP/6-31G* level
- 13:0613:06, 1 November 2012 diff hist +227 Rep:Mod:3GPPHYS →1,5-hexadiene Ci anti 2 optimization and frequency B3LYP/6-31G* level
- 13:0213:02, 1 November 2012 diff hist 0 N File:React Cianti2 DFT freq1.mol No edit summary current
- 13:0213:02, 1 November 2012 diff hist 0 N File:React Cianti2 DFT opt1.mol No edit summary current
- 13:0113:01, 1 November 2012 diff hist +237 Rep:Mod:3GPPHYS →1,5-hexadiene Ci anti 2 optimization and frequency B3LYP/6-31G* level
- 12:5412:54, 1 November 2012 diff hist +8 Rep:Mod:3GPPHYS →1,5-hexadiene Ci anti 2 optimization and frequency B3LYP/6-31G* level
- 12:4612:46, 1 November 2012 diff hist 0 N File:React Cianti2 opt1.mol No edit summary current
- 12:4512:45, 1 November 2012 diff hist 0 N File:Anti 2 321G pic.png No edit summary current
- 12:4512:45, 1 November 2012 diff hist 0 N File:Anti 2 631G pic.png No edit summary current
- 12:4212:42, 1 November 2012 diff hist +1 Rep:Mod:3GPPHYS →1,5-hexadiene Ci anti 2 optimization and frequency B3LYP/6-31G* level
- 12:4112:41, 1 November 2012 diff hist +491 Rep:Mod:3GPPHYS →1,5-hexadiene Ci anti 2 optimization and frequency B3LYP/6-31G* level
- 12:2812:28, 1 November 2012 diff hist +733 Rep:Mod:3GPPHYS →1,5-hexadiene Ci anti 2 optimization HF/3-21G level