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User contributions for Pnr08

Results for Pnr08 talk block log uploads logs

A user with 496 edits. Account created on 19 January 2011.

13:0013:00, 18 February 2011 diff hist +643 Rep:Mod:pnr08mod3 →Boat
13:0013:00, 18 February 2011 diff hist +33 N File:Pnroutput.mol The reactant/product conformation current
12:5112:51, 18 February 2011 diff hist +925 Rep:Mod:pnr08mod3 →Optimising the Transition States
12:5112:51, 18 February 2011 diff hist +10 N File:Graphs.jpg IRC Graphs current
12:2212:22, 18 February 2011 diff hist +1,105 Rep:Mod:pnr08mod3 →Boat
09:5209:52, 18 February 2011 diff hist +328 Rep:Mod:pnr08mod3 →Chair
09:4809:48, 18 February 2011 diff hist +253 Rep:Mod:pnr08mod3 →Chair
09:3509:35, 18 February 2011 diff hist +124 Rep:Mod:pnr08mod3 →Chair
09:3409:34, 18 February 2011 diff hist −4 Rep:Mod:pnr08mod3 →Chair
09:3309:33, 18 February 2011 diff hist +1,800 Rep:Mod:pnr08mod3 →Chair
09:3209:32, 18 February 2011 diff hist +64 N File:Chair1 vib.gif The reaction coordinate vibration for the chair transition state current
09:1309:13, 18 February 2011 diff hist +561 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
08:5208:52, 18 February 2011 diff hist +320 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
08:4408:44, 18 February 2011 diff hist +137 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
08:3708:37, 18 February 2011 diff hist +3 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
00:5200:52, 18 February 2011 diff hist +1,172 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
00:2300:23, 18 February 2011 diff hist −2 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
00:2100:21, 18 February 2011 diff hist +1,384 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene

18:5718:57, 17 February 2011 diff hist +10 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
18:4618:46, 17 February 2011 diff hist +239 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
18:0118:01, 17 February 2011 diff hist −5 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
18:0018:00, 17 February 2011 diff hist +1,015 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
17:5917:59, 17 February 2011 diff hist +32 N File:1 guess2 anti1 output.mol A lower energy anti conformation current
17:2217:22, 17 February 2011 diff hist −3 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
17:2117:21, 17 February 2011 diff hist −3 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
17:1917:19, 17 February 2011 diff hist 0 Rep:Mod:pnr08mod3 →Optimising 1,5-Hexadiene
17:1817:18, 17 February 2011 diff hist +994 Rep:Mod:pnr08mod3 No edit summary
17:0217:02, 17 February 2011 diff hist +35 N File:1 react gauche4 output.mol An example of a gauche conformation current
17:0117:01, 17 February 2011 diff hist +34 N File:1 react anti2 output.mol An example of an anti conformation current

16:2916:29, 15 February 2011 diff hist +873 N Rep:Mod:pnr08mod3 New page: ==Cope Rearrangement== The Cope Rearrangement of 1,5-hexadiene is the archetypal [3+3]-sigmatropic rearrangement. It is a useful reaction to study as an introduction to modelling transiti...
16:0616:06, 15 February 2011 diff hist +39 N File:Pnrcope.gif The cope rearrangement of 1,5-hexadiene current

17:0317:03, 8 February 2011 diff hist +58 Rep:Mod:pnr08mod2 →Vibrational Analysis of TlBr<sub>3</sub>
17:0217:02, 8 February 2011 diff hist +22 N File:PnrTLBR3 VIB.LOG TlBr3 Vibration output current
17:0217:02, 8 February 2011 diff hist +89 Rep:Mod:pnr08mod2 →Larger Basis Sets and Pseudopotentials - TlBr<sub>3</sub>
17:0117:01, 8 February 2011 diff hist +27 N File:PnrTLBR3 OPT.LOG TlBr3 optimisation log file current
17:0117:01, 8 February 2011 diff hist +59 Rep:Mod:pnr08mod2 →Vibrational Analysis of BH<sub>3</sub>
17:0017:00, 8 February 2011 diff hist +22 N File:Pnr08BH3 VIB.LOG Bh3 vibration log file current
17:0017:00, 8 February 2011 diff hist +91 Rep:Mod:pnr08mod2 →Small Basis Sets - BH<sub>3</sub>
16:5916:59, 8 February 2011 diff hist +25 N File:Pnr08BH3 OPT.LOG Bh3 optimisation log file current
16:5716:57, 8 February 2011 diff hist +4 Rep:Mod:pnr08mod2 →Optimised Geometries of the Isomers
16:5316:53, 8 February 2011 diff hist +99 Rep:Mod:pnr08mod2 →Vibrational Analysis
16:5216:52, 8 February 2011 diff hist +6 Rep:Mod:pnr08mod2 →Vibrational Analysis
16:5216:52, 8 February 2011 diff hist +8 Rep:Mod:pnr08mod2 →Vibrational Analysis
16:4816:48, 8 February 2011 diff hist +9 Rep:Mod:pnr08mod2 →Molecular Orbital Analysis
16:4716:47, 8 February 2011 diff hist +9 Rep:Mod:pnr08mod2 →Molecular Orbital Analysis
16:4716:47, 8 February 2011 diff hist +79 Rep:Mod:pnr08mod2 →Molecular Orbital Analysis
16:4516:45, 8 February 2011 diff hist +1 Rep:Mod:pnr08mod2 →Molecular Orbital Analysis
16:4416:44, 8 February 2011 diff hist +393 Rep:Mod:pnr08mod2 →Molecular Orbital Analysis
16:4016:40, 8 February 2011 diff hist +343 Rep:Mod:pnr08mod2 →Vibrational Analysis
16:3716:37, 8 February 2011 diff hist +39 N File:Transspectrum.jpg Calculated IR spectrum of trans complex current

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