User contributions for Btl09
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15 December 2011
- 12:2012:20, 15 December 2011 diff hist +338 Rep:Mod:BTL093 →Boat Transition State
- 12:1612:16, 15 December 2011 diff hist +23 Rep:Mod:BTL093 →Boat Transition State
- 12:1512:15, 15 December 2011 diff hist +188 Rep:Mod:BTL093 →Boat Transition State
- 12:1512:15, 15 December 2011 diff hist +440 Rep:Mod:BTL093 →Boat Transition State
- 12:1012:10, 15 December 2011 diff hist −1 Rep:Mod:BTL093 →Boat Transition State
- 12:0912:09, 15 December 2011 diff hist 0 Rep:Mod:BTL093 →Boat Transition State
- 12:0912:09, 15 December 2011 diff hist +1 Rep:Mod:BTL093 →Boat Transition State
- 12:0712:07, 15 December 2011 diff hist +2 Rep:Mod:BTL093 →Boat Transition State
- 12:0712:07, 15 December 2011 diff hist 0 N File:Boat opt angle adjustment output 1.mol No edit summary current
- 12:0612:06, 15 December 2011 diff hist 0 File:Boat opt angle adjustment output.mol uploaded a new version of "File:Boat opt angle adjustment output.mol" current
- 12:0412:04, 15 December 2011 diff hist 0 File:Boat opt angle adjustment output.mol uploaded a new version of "File:Boat opt angle adjustment output.mol"
- 12:0312:03, 15 December 2011 diff hist +16 Rep:Mod:BTL093 →Boat Transition State
- 12:0212:02, 15 December 2011 diff hist 0 N File:Btl09IR stretch Boat.jpg No edit summary current
- 12:0212:02, 15 December 2011 diff hist 0 N File:Boat opt angle adjustment output.mol No edit summary
- 12:0112:01, 15 December 2011 diff hist +533 Rep:Mod:BTL093 →Boat Transition State
14 December 2011
- 22:2822:28, 14 December 2011 diff hist +29 Rep:Mod:BTL093 →Optimising the Chair and Boat Transition states
- 22:2422:24, 14 December 2011 diff hist +665 Rep:Mod:BTL093 →Intrinsic Reaction Coordinate of the Chair Transition State
- 22:1722:17, 14 December 2011 diff hist +1,386 Rep:Mod:BTL093 →Optimising the Chair TS using 2 different method
- 22:1722:17, 14 December 2011 diff hist 0 N File:IRC once structure.jpg No edit summary current
- 22:1722:17, 14 December 2011 diff hist 0 N File:IRC once graph.JPG No edit summary current
- 22:1722:17, 14 December 2011 diff hist 0 N File:IRC always structure.jpg No edit summary current
- 22:1722:17, 14 December 2011 diff hist 0 N File:IRC always graph.JPG No edit summary current
- 21:5521:55, 14 December 2011 diff hist 0 Rep:Mod:BTL093 →Optimising the Chair TS using 2 different method
- 21:5421:54, 14 December 2011 diff hist 0 N File:Imaginary IR stretch modreductant.jpg No edit summary current
- 21:5421:54, 14 December 2011 diff hist 0 N File:IR stretch TS berny.jpg No edit summary current
- 21:5421:54, 14 December 2011 diff hist 0 N File:Chair TSBerny MOL.mol No edit summary current
- 21:5421:54, 14 December 2011 diff hist 0 N File:Chair modreductant mol.mol No edit summary current
- 21:5421:54, 14 December 2011 diff hist +1,140 Rep:Mod:BTL093 →The Cope Rearrangement of 1,5 Hexadiene
- 19:4619:46, 14 December 2011 diff hist +325 Rep:Mod:BTL093 →Frequency analysis and Thermal Energies of Anti 2 conformer
- 19:4219:42, 14 December 2011 diff hist +661 Rep:Mod:BTL093 →Frequency analysis and Thermal Energies of Anti 2 conformer
- 19:3419:34, 14 December 2011 diff hist +576 Rep:Mod:BTL093 →Frequency analysis and Thermal Energies of Anti 2 conformer
- 19:2919:29, 14 December 2011 diff hist 0 File:Btl09 2 anti DFT.mol uploaded a new version of "File:Btl09 2 anti DFT.mol" current
- 19:2819:28, 14 December 2011 diff hist +527 Rep:Mod:BTL093 →Optimising the Reactants and Products
- 19:2819:28, 14 December 2011 diff hist 0 N File:Btl09 2 anti DFT.mol No edit summary
- 19:2519:25, 14 December 2011 diff hist 0 N File:Btl09Anti 2 IR spectrum.jpg No edit summary current
- 19:1919:19, 14 December 2011 diff hist +193 Rep:Mod:BTL093 →Optimising the Anti 2 structure using higher level method
- 19:1719:17, 14 December 2011 diff hist +6 Rep:Mod:BTL093 →Optimising the Anti 2 structure using higher level method
- 19:1619:16, 14 December 2011 diff hist +1,570 Rep:Mod:BTL093 →Optimising the Reactants and Products
- 18:5918:59, 14 December 2011 diff hist 0 N File:Btl09 anti2 labels.jpg No edit summary current
- 18:5518:55, 14 December 2011 diff hist +362 Rep:Mod:BTL093 →Conformers of 1,5 Hexadiene
- 18:4818:48, 14 December 2011 diff hist 0 Rep:Mod:BTL093 →Conformers of 1,5 Hexadiene
- 18:4818:48, 14 December 2011 diff hist +839 Rep:Mod:BTL093 →Conformers of 1,5 Hexadiene
- 18:4718:47, 14 December 2011 diff hist 0 N File:Btl091 HOMOgauche3.jpg No edit summary current
- 18:3818:38, 14 December 2011 diff hist +2 Rep:Mod:BTL093 →Conformers of 1,5 Hexadiene
- 18:3718:37, 14 December 2011 diff hist +12 Rep:Mod:BTL093 →Conformers of 1,5 Hexadiene
- 18:3318:33, 14 December 2011 diff hist +2,244 N Rep:Mod:BTL093 Created page with "'''Module 3: Physical Computational Chemistry''' ='''The Cope Rearrangement of 1,5 Hexadiene''' = ==<u>Optimising the Reactants and Products</u>== ===Conformers of 1,5 Hexadie..."
- 18:3018:30, 14 December 2011 diff hist 0 N File:Gauche 6 opt.mol No edit summary current
- 18:3018:30, 14 December 2011 diff hist 0 N File:BTL09 1 GAUCHE.mol No edit summary current
- 18:3018:30, 14 December 2011 diff hist 0 N File:BTL09 ZERO POINT.mol No edit summary current
- 18:3018:30, 14 December 2011 diff hist 0 N File:Gauche 1 opt.mol No edit summary current