User contributions for Pgc09
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4 February 2013
- 17:0117:01, 4 February 2013 diff hist +44 Rep:Mod:479231 →Finding the transition state
- 16:4816:48, 4 February 2013 diff hist 0 Rep:Mod:479231 →Finding the transition state
- 16:4816:48, 4 February 2013 diff hist +6 Rep:Mod:479231 →Finding the transition state
- 16:4716:47, 4 February 2013 diff hist −8 Rep:Mod:479231 →Finding the transition state
- 16:4716:47, 4 February 2013 diff hist +38 Rep:Mod:479231 →Finding the transition state
- 16:4616:46, 4 February 2013 diff hist 0 N File:DA TS derivative.png No edit summary current
- 16:4216:42, 4 February 2013 diff hist +88 Rep:Mod:479231 →Finding the transition state
- 16:4116:41, 4 February 2013 diff hist +738 Rep:Mod:479231 →Finding the transition state
- 16:1516:15, 4 February 2013 diff hist +171 Rep:Mod:479231 →Finding the transition state
- 16:1116:11, 4 February 2013 diff hist +36 Rep:Mod:479231 →Optimizing Cis-butadiene
- 16:0216:02, 4 February 2013 diff hist +107 Rep:Mod:479231 →Boat conformation
- 16:0016:00, 4 February 2013 diff hist +106 Rep:Mod:479231 →Boat conformation
- 15:5715:57, 4 February 2013 diff hist +30 Rep:Mod:479231 →Frequency analysis
- 15:5715:57, 4 February 2013 diff hist 0 N File:Anti part2 freq.log No edit summary current
- 15:5415:54, 4 February 2013 diff hist +25 Rep:Mod:479231 →Initial optimisation
- 15:5315:53, 4 February 2013 diff hist 0 N File:ANTI PART 2.LOG No edit summary current
- 15:5215:52, 4 February 2013 diff hist 0 File:ANTI PART 2 3ND OPT.LOG uploaded a new version of "File:ANTI PART 2 3ND OPT.LOG" current
- 15:4215:42, 4 February 2013 diff hist +91 Rep:Mod:479231 →Frozen co-ordinates
- 15:3915:39, 4 February 2013 diff hist −1 Rep:Mod:479231 →Frozen co-ordinates
- 15:3915:39, 4 February 2013 diff hist −387 Rep:Mod:479231 →Frozen co-ordinates
- 15:3815:38, 4 February 2013 diff hist −1 Rep:Mod:479231 →Double derivative
- 15:3815:38, 4 February 2013 diff hist +387 Rep:Mod:479231 →Double derivative
- 15:3615:36, 4 February 2013 diff hist +103 Rep:Mod:479231 →Double derivative
- 15:2215:22, 4 February 2013 diff hist +1 Rep:Mod:479231 →Optimizing Cis-butadiene
- 15:2115:21, 4 February 2013 diff hist +95 Rep:Mod:479231 →Optimizing Cis-butadiene
- 15:0415:04, 4 February 2013 diff hist +4 Rep:Mod:479231 →Optimizing Cis-butadiene
- 15:0315:03, 4 February 2013 diff hist +134 Rep:Mod:479231 →Optimizing Cis-butadiene
- 14:5814:58, 4 February 2013 diff hist +170 Rep:Mod:479231 →Optimizing Cis-butadiene
- 14:5814:58, 4 February 2013 diff hist 0 N File:LUMO cis butadine.png No edit summary current
- 14:5714:57, 4 February 2013 diff hist 0 N File:HOMO cisbutadien.png No edit summary current
- 14:5114:51, 4 February 2013 diff hist +160 Rep:Mod:479231 →Optimizing Cis-butadiene
- 14:4914:49, 4 February 2013 diff hist +390 Rep:Mod:479231 →Optimizing Cis-butadiene
- 14:4714:47, 4 February 2013 diff hist +526 Rep:Mod:479231 →The Diels Alder Cycloaddition
- 14:4014:40, 4 February 2013 diff hist +35 Rep:Mod:479231 →IRC optimisation
31 January 2013
- 17:0517:05, 31 January 2013 diff hist +373 Rep:Mod:479231 →Frozen co-ordinates
- 17:0417:04, 31 January 2013 diff hist +336 Rep:Mod:479231 →Double derivative
- 17:0317:03, 31 January 2013 diff hist +25 Rep:Mod:479231 →Frozen co-ordinates
- 17:0317:03, 31 January 2013 diff hist +751 Rep:Mod:479231 →Frozen co-ordinates
- 16:4816:48, 31 January 2013 diff hist +27 Rep:Mod:479231 →Finding the chair transition state
- 16:3116:31, 31 January 2013 diff hist +931 Rep:Mod:479231 →IRC optimisation
- 16:2416:24, 31 January 2013 diff hist +24 Rep:Mod:479231 →IRC calculation
- 16:1416:14, 31 January 2013 diff hist +365 Rep:Mod:479231 →IRC calculation
- 16:1116:11, 31 January 2013 diff hist +262 Rep:Mod:479231 →IRC calculation
- 16:0516:05, 31 January 2013 diff hist 0 Rep:Mod:479231 No edit summary
- 16:0516:05, 31 January 2013 diff hist +23 Rep:Mod:479231 No edit summary
- 14:5714:57, 31 January 2013 diff hist +387 Rep:Mod:479231 →Boat conformation
- 14:5414:54, 31 January 2013 diff hist +331 Rep:Mod:479231 →Boat conformation
- 14:5214:52, 31 January 2013 diff hist +6 Rep:Mod:479231 →Boat conformation
- 14:5114:51, 31 January 2013 diff hist +25 Rep:Mod:479231 →Boat conformation
- 14:5014:50, 31 January 2013 diff hist 0 N File:Boat ts 2.jpg No edit summary current