User contributions for Lkb110
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31 January 2013
- 15:2915:29, 31 January 2013 diff hist +474 Rep:Mod:lkb110mod3 →Optimisation of "Chair Transition State using the Hartree Fock/3-21G level of theory
- 15:2815:28, 31 January 2013 diff hist 0 File:CHAIR TS GUESS.LOG uploaded a new version of "File:CHAIR TS GUESS.LOG"
- 15:0815:08, 31 January 2013 diff hist +140 Rep:Mod:lkb110mod3 →"Chair" Transition States
- 15:0615:06, 31 January 2013 diff hist 0 N File:Chair ts pic 1.png No edit summary current
- 15:0215:02, 31 January 2013 diff hist +62 Rep:Mod:lkb110mod3 →Optimisation of the "Chair" and "Boat" Transition States
- 13:3313:33, 31 January 2013 diff hist +38 Rep:Mod:lkb110mod3 →The Cope Rearrangement
- 13:3113:31, 31 January 2013 diff hist +36 Rep:Mod:lkb110mod3 →The Cope Rearrangement
- 13:2613:26, 31 January 2013 diff hist −26 Rep:Mod:lkb110mod3 →The Cope Rearrangement
- 13:2613:26, 31 January 2013 diff hist +470 Rep:Mod:lkb110mod3 →The Cope Rearrangement
30 January 2013
- 16:5816:58, 30 January 2013 diff hist +88 Rep:Mod:lkb110mod3 →Thermochemistry of 1,5-hexadiene with B3LYP/6-31G*
- 16:5016:50, 30 January 2013 diff hist +424 Rep:Mod:lkb110mod3 →Comparison of Optimised Structures to Appendices
- 16:3816:38, 30 January 2013 diff hist +86 Rep:Mod:lkb110mod3 →Comparison of Optimised Structures to Appendices
- 16:3616:36, 30 January 2013 diff hist +533 Rep:Mod:lkb110mod3 →Optimisation and Frequency Analysis of Gauche 1,5-hexadiene using the DFT/B3LYP/6-31G* level of theory
- 16:3516:35, 30 January 2013 diff hist +35 Rep:Mod:lkb110mod3 →Optimisation and Frequency Analysis of Gauche 1,5-hexadiene using the DFT/B3LYP/6-31G* level of theory
- 16:3516:35, 30 January 2013 diff hist 0 N File:REACT GAUCHE OPT FREQ 631G.LOG No edit summary current
- 16:3416:34, 30 January 2013 diff hist −48 Rep:Mod:lkb110mod3 →Optimisation and Frequency Analysis of Gauche 1,5-hexadiene using the DFT/B3LYP/6-31G* level of theory
- 16:3316:33, 30 January 2013 diff hist +250 Rep:Mod:lkb110mod3 →Comparison of Optimised Structures to Appendices
- 16:2116:21, 30 January 2013 diff hist −327 Rep:Mod:lkb110mod3 →Comparisons of the geometries
- 16:1416:14, 30 January 2013 diff hist +34 Rep:Mod:lkb110mod3 →Frequency Analysis of Anti-Periplanar 1,5-hexadiene
- 16:1316:13, 30 January 2013 diff hist 0 N File:REACT ANTI OPT FREQ 621G.LOG No edit summary current
- 16:1216:12, 30 January 2013 diff hist +570 Rep:Mod:lkb110mod3 →Optimisation and Frequency Analysis of Gauche 1,5-hexadiene using the DFT/B3LYP/6-31G* level of theory
- 16:1116:11, 30 January 2013 diff hist +276 Rep:Mod:lkb110mod3 →Optimisation and Frequency Analysis of Anti-Periplanar 1,5-hexadiene using the DFT/B3LYP/6-31G* level of theory
- 16:0416:04, 30 January 2013 diff hist +118 Rep:Mod:lkb110mod3 →Optimisation of Gauche 1,5-hexadiene using the Hartree Fock/3-21G level of theory
- 16:0316:03, 30 January 2013 diff hist +146 Rep:Mod:lkb110mod3 →Frequency Analysis of Anti-Periplanar 1,5-hexadiene
- 16:0116:01, 30 January 2013 diff hist +9 Rep:Mod:lkb110mod3 →Frequency Analysis of Anti-Periplanar 1,5-hexadiene
- 15:5915:59, 30 January 2013 diff hist +3 Rep:Mod:lkb110mod3 →Comparisons of the geometries
- 15:5915:59, 30 January 2013 diff hist +287 Rep:Mod:lkb110mod3 →Comparisons of the geometries
- 15:5515:55, 30 January 2013 diff hist −1 Rep:Mod:lkb110mod3 →Comparisons of the geometries
- 15:5015:50, 30 January 2013 diff hist +2 Rep:Mod:lkb110mod3 No edit summary
- 15:4815:48, 30 January 2013 diff hist +883 Rep:Mod:lkb110mod3 →Optimisation of Gauche 1,5-hexadiene using the Hartree Fock/3-21G level of theory
- 15:4015:40, 30 January 2013 diff hist +26 Rep:Mod:lkb110mod3 →Optimisation of Gauche 1,5-hexadiene using the Hartree Fock/3-21G level of theory
- 15:2215:22, 30 January 2013 diff hist +1 Rep:Mod:lkb110mod3 →=Comparisons of the geometries
- 15:2115:21, 30 January 2013 diff hist +37 Rep:Mod:lkb110mod3 →The Cope Rearrangement
- 15:1515:15, 30 January 2013 diff hist +388 Rep:Mod:lkb110mod3 →Optimisation of Anti-Periplanar 1,5-hexadiene using the DFT/B3LYP/6-31G* level of theory
- 15:1415:14, 30 January 2013 diff hist +3 Rep:Mod:lkb110mod3 →Optimisation of Anti-Periplanar 1,5-hexadiene using the DFT/B3LYP/6-31G* level of theory
- 15:1415:14, 30 January 2013 diff hist 0 File:REACT ANTI OPT 621G.LOG uploaded a new version of "File:REACT ANTI OPT 621G.LOG" current
- 15:0615:06, 30 January 2013 diff hist +550 Rep:Mod:lkb110mod3 →Optimisation of Anti-Periplanar 1,5-hexadiene using the DFT/B3LYP/6-31G* level of theory
- 14:5914:59, 30 January 2013 diff hist +378 Rep:Mod:lkb110mod3 →Optimisation of Anti-Periplanar 1,5-hexadiene using the Hartree Fock/3-21G level of theory
- 14:5814:58, 30 January 2013 diff hist 0 N File:REACT ANTI OPT 621G.LOG No edit summary
- 13:3813:38, 30 January 2013 diff hist +50 Rep:Mod:lkb110mod3 →Comparison of Optimised Structures to Appendices
- 13:3813:38, 30 January 2013 diff hist +56 Rep:Mod:lkb110mod3 →Optimisation of Gauche 1,5-hexadiene using the Hartree Fock/3-21G level of theory
- 13:3113:31, 30 January 2013 diff hist +43 Rep:Mod:lkb110mod3 →Optimisation of Gauche 1,5-hexadiene using the Hartree Fock/3-21G level of theory
- 13:3113:31, 30 January 2013 diff hist +10 Rep:Mod:lkb110mod3 →Optimisation of Anti-Periplanar 1,5-hexadiene using the Hartree Fock/3-21G level of theory
- 13:2613:26, 30 January 2013 diff hist +388 Rep:Mod:lkb110mod3 →Optimisation of Gauche 1,5-hexadiene using the Hartree Fock/3-21G level of theory
- 13:2013:20, 30 January 2013 diff hist +21 Rep:Mod:lkb110mod3 →Optimisation of Gauche 1,5-hexadiene using the Hartree Fock/3-21G level of theory
- 13:1713:17, 30 January 2013 diff hist +848 Rep:Mod:lkb110mod3 →The Cope Rearrangement
- 13:1613:16, 30 January 2013 diff hist 0 N File:REACT GAUCHE OPT 321G.LOG No edit summary current
- 12:5912:59, 30 January 2013 diff hist +92 Rep:Mod:lkb110mod3 →Optimisation of Anti-Periplanar 1,5-hexadiene using the Hartree Fock/3-21G level of theory
- 12:5612:56, 30 January 2013 diff hist +28 Rep:Mod:lkb110mod3 →Optimisation of Anti-Periplanar 1,5-hexadiene using the Hartree Fock/3-21G level of theory