User contributions for Mr308
Appearance
15 February 2011
- 13:0313:03, 15 February 2011 diff hist +727 Rep:Mod:zillakilla3 →IRC Analysis
- 12:4512:45, 15 February 2011 diff hist +1 Rep:Mod:zillakilla3 →Frozen Coordinate Method
- 11:5111:51, 15 February 2011 diff hist +1,091 Rep:Mod:zillakilla3 →IRC Analysis
14 February 2011
- 17:4317:43, 14 February 2011 diff hist +289 Rep:Mod:zillakilla3 →IRC Analysis
- 17:3917:39, 14 February 2011 diff hist 0 N File:IRC boat 1 mr308.png No edit summary current
- 17:3917:39, 14 February 2011 diff hist 0 N File:Boat IRC proper 1 mr308.mol No edit summary current
- 17:1917:19, 14 February 2011 diff hist +1,104 Rep:Mod:zillakilla3 →IRC Analysis
- 16:1916:19, 14 February 2011 diff hist 0 N File:IRC chair 2 mr308.png No edit summary current
- 16:1816:18, 14 February 2011 diff hist 0 N File:Chair irc 2 mr308.mol No edit summary current
- 15:2815:28, 14 February 2011 diff hist 0 N File:IRC chair 1 mr308.png No edit summary current
- 15:2715:27, 14 February 2011 diff hist 0 N File:Chair irc 1 mr308.mol No edit summary current
- 15:2615:26, 14 February 2011 diff hist +264 Rep:Mod:zillakilla3 →IRC Analysis
- 14:3914:39, 14 February 2011 diff hist +306 Rep:Mod:zillakilla3 →IRC Analysis
11 February 2011
- 19:4919:49, 11 February 2011 diff hist +3,338 Rep:Mod:zillakilla3 →Boat Optimisation
- 19:3219:32, 11 February 2011 diff hist 0 N File:BOAT TS3 OPT MR308.LOG No edit summary current
- 19:3119:31, 11 February 2011 diff hist 0 N File:BOAT TS4 OPT MR308.LOG No edit summary current
- 17:2117:21, 11 February 2011 diff hist +7,241 Rep:Mod:zillakilla3 →Optimising the Chair and Boat Transition States
- 17:0617:06, 11 February 2011 diff hist 0 N File:CHAIR TS GUESS OPT FROZEN2 MR308.LOG No edit summary current
- 16:4016:40, 11 February 2011 diff hist 0 N File:CHAIR TS GUESS OPT FROZEN1 MR308.LOG No edit summary current
- 16:1516:15, 11 February 2011 diff hist 0 N File:CHAIR TS GUESS OPT1 MR308.LOG No edit summary current
- 16:0616:06, 11 February 2011 diff hist 0 N File:Chair TS Guess opt1 mr308.mol No edit summary current
- 15:3815:38, 11 February 2011 diff hist −3 Rep:Mod:zillakilla3 →Cope Rearrangement of 1,5-hexadiene
- 15:3815:38, 11 February 2011 diff hist +458 Rep:Mod:zillakilla3 →Vibrational Analysis
- 15:3815:38, 11 February 2011 diff hist 0 N File:C3H5 Opt 1 mr308.mol No edit summary current
- 14:5214:52, 11 February 2011 diff hist +4,585 Rep:Mod:zillakilla3 →Optimisation of the Reactants and Products
- 14:5214:52, 11 February 2011 diff hist 0 N File:GAUCHE3 OPT 1 MR308.LOG No edit summary current
- 14:5114:51, 11 February 2011 diff hist 0 N File:GAUCH OPT 1 MR308.LOG No edit summary current
- 14:5114:51, 11 February 2011 diff hist 0 N File:ANTI2 FREQ 1 MR308.LOG No edit summary current
- 14:4914:49, 11 February 2011 diff hist 0 N File:ANTI OPT 2 MR308.LOG No edit summary current
- 14:4914:49, 11 February 2011 diff hist 0 N File:ANTI OPT 1 MR308.LOG No edit summary current
- 14:3914:39, 11 February 2011 diff hist 0 N File:IR spectrum anti 2 mr308.png No edit summary current
- 12:2512:25, 11 February 2011 diff hist +3,185 N Rep:Mod:zillakilla3 New page: __TOC__ ==Introduction== ==Cope Rearrangement of 1,5-hexadiene== The Cope rearrangment is a [3,3]-sigmatropic shift via a concerted cyclic transition state with either chair or boat con...
- 12:1712:17, 11 February 2011 diff hist 0 N File:Gauche3 opt 1 mr308.mol No edit summary current
- 11:3911:39, 11 February 2011 diff hist 0 N File:Gauch Opt 1 mr308.mol No edit summary current
- 11:2011:20, 11 February 2011 diff hist 0 N File:Anti Opt 1 mr308.mol No edit summary current
- 10:3510:35, 11 February 2011 diff hist 0 N File:Chair Boat transition states mr308.gif No edit summary current
- 10:2710:27, 11 February 2011 diff hist 0 N File:Cope Rearrangment mr308.gif No edit summary current
8 February 2011
- 14:0614:06, 8 February 2011 diff hist +7 Rep:Mod:zillakilla2 No edit summary
- 14:0514:05, 8 February 2011 diff hist +27 Rep:Mod:zillakilla2 No edit summary
- 13:5913:59, 8 February 2011 diff hist +425 Rep:Mod:zillakilla2 →Frequency Analysis
- 13:5913:59, 8 February 2011 diff hist 0 N File:B NSi eq negative freq mr308.gif No edit summary current
- 13:5813:58, 8 February 2011 diff hist 0 N File:B CH3 ax negative freq mr308.gif No edit summary current
- 13:5813:58, 8 February 2011 diff hist 0 N File:B CH3 eq negative freq mr308.gif No edit summary current
- 13:4413:44, 8 February 2011 diff hist 0 Rep:Mod:zillakilla2 →Molecular Orbitals of BH<sub>3</sub>
- 13:4313:43, 8 February 2011 diff hist 0 N File:BH3 MO diagram mr308.png No edit summary current
- 13:4313:43, 8 February 2011 diff hist 0 Rep:Mod:zillakilla2 →Molecular Orbitals of BH<sub>3</sub>
- 13:4213:42, 8 February 2011 diff hist −214 Rep:Mod:zillakilla2 →Molecular Orbitals of BH<sub>3</sub>
- 13:4113:41, 8 February 2011 diff hist 0 N File:BH3 MO diagram mr308.gif No edit summary current
- 13:1313:13, 8 February 2011 diff hist −27 Rep:Mod:zillakilla2 →Frequency Analysis
- 13:1313:13, 8 February 2011 diff hist +358 Rep:Mod:zillakilla2 →Optimisation of Geometries