User contributions for Cr810
31 October 2012
- 16:4916:49, 31 October 2012 diff hist +32 Rep:Mod:cr810module3 →Chair
- 16:4916:49, 31 October 2012 diff hist −1,499 Rep:Mod:cr810module3 →Energies of the transition states (in Hartrees)
- 16:4816:48, 31 October 2012 diff hist +3 Rep:Mod:cr810module3 →Energies of the transition states (in Hartrees; 1 hartree = 627.509 kcal/mol)
- 16:4816:48, 31 October 2012 diff hist −22 Rep:Mod:cr810module3 →Energies of the transition states (in Hartrees)
- 16:4716:47, 31 October 2012 diff hist +14 Rep:Mod:cr810module3 →Energies of the transition states
- 16:4716:47, 31 October 2012 diff hist 0 Rep:Mod:cr810module3 →Energies of the transition states
- 16:4616:46, 31 October 2012 diff hist +31 Rep:Mod:cr810module3 →Energies of the transition states
- 16:3916:39, 31 October 2012 diff hist +62 Rep:Mod:cr810module3 →Energies of the transition states
- 16:1816:18, 31 October 2012 diff hist +121 Rep:Mod:cr810module3 →Energies of the transition states
- 15:5315:53, 31 October 2012 diff hist −67 Rep:Mod:cr810module3 →Energies of the transition states
- 15:5115:51, 31 October 2012 diff hist +2,610 Rep:Mod:cr810module3 →Activation Energies
- 15:2715:27, 31 October 2012 diff hist +27 Rep:Mod:cr810module3 →The Intrinsic Reaction Co-ordinate
- 15:2315:23, 31 October 2012 diff hist +1,527 Rep:Mod:cr810module3 →The Intrinsic Reaction Co-ordinate
- 15:2215:22, 31 October 2012 diff hist 0 N File:Boat IRC minimum.mol No edit summary current
- 14:2614:26, 31 October 2012 diff hist 0 N File:Chair IRC minimum.mol No edit summary current
30 October 2012
- 21:3121:31, 30 October 2012 diff hist −67 Rep:Mod:cr810module3 →Optimising the Boat transition state
- 21:3021:30, 30 October 2012 diff hist 0 N File:Boat ts state.png No edit summary current
- 21:2521:25, 30 October 2012 diff hist +115 Rep:Mod:cr810module3 →Optimising the Boat transition state
- 21:2221:22, 30 October 2012 diff hist 0 Rep:Mod:cr810module3 →Optimising the Boat transition state
- 21:2021:20, 30 October 2012 diff hist +27 Rep:Mod:cr810module3 →Optimising the Boat transition state
- 21:1921:19, 30 October 2012 diff hist +257 Rep:Mod:cr810module3 →Optimising the Boat transition state
- 21:1721:17, 30 October 2012 diff hist +20 Rep:Mod:cr810module3 →Chair
- 21:1221:12, 30 October 2012 diff hist +893 Rep:Mod:cr810module3 →Optimising the Boat transition state
- 21:0521:05, 30 October 2012 diff hist 0 N File:Boat ts opt freq.mol No edit summary current
- 21:0521:05, 30 October 2012 diff hist 0 N File:Boat ts opt freq WORKED.log No edit summary current
- 21:0521:05, 30 October 2012 diff hist 0 N File:Boat numbering.png No edit summary current
- 00:4400:44, 30 October 2012 diff hist +3 Rep:Mod:cr810module3 →Chair
- 00:4200:42, 30 October 2012 diff hist 0 File:Chair ts opt freq.mol uploaded a new version of "File:Chair ts opt freq.mol" current
- 00:3900:39, 30 October 2012 diff hist +304 Rep:Mod:cr810module3 →Optimising the "Chair" and "Boat" Transition State Structures
28 October 2012
- 22:4822:48, 28 October 2012 diff hist +350 Rep:Mod:cr810module3 →Optimising the "Chair" and "Boat" Transition State Structures
- 21:2321:23, 28 October 2012 diff hist +21 Rep:Mod:cr810module3 →Optimising the "Chair" and "Boat" Transition State Structures
- 21:1921:19, 28 October 2012 diff hist +689 Rep:Mod:cr810module3 →Optimising the "Chair" and "Boat" Transition State Structures
- 21:1821:18, 28 October 2012 diff hist 0 N File:Chair ts guess resonant.mol No edit summary current
- 20:4820:48, 28 October 2012 diff hist 0 N File:Chair ts guess.log No edit summary current
- 19:1319:13, 28 October 2012 diff hist +3 Rep:Mod:cr810module3 →Anti2 Conformer
- 19:1319:13, 28 October 2012 diff hist +69 Rep:Mod:cr810module3 →Anti2 Conformer
- 19:1219:12, 28 October 2012 diff hist +16 Rep:Mod:cr810module3 →Anti2 Conformer
- 19:1119:11, 28 October 2012 diff hist +150 Rep:Mod:cr810module3 →Anti2 Conformer
- 19:1019:10, 28 October 2012 diff hist +882 Rep:Mod:cr810module3 →Anti2 Conformer
- 18:1418:14, 28 October 2012 diff hist +554 Rep:Mod:cr810module3 →Anti2 Conformer
- 16:1516:15, 28 October 2012 diff hist 0 N File:Anti2 dft.mol No edit summary current
- 15:4315:43, 28 October 2012 diff hist +7 Rep:Mod:cr810module3 →Anti2 Conformer
- 15:4315:43, 28 October 2012 diff hist +429 Rep:Mod:cr810module3 →Anti2 Conformer
- 15:3115:31, 28 October 2012 diff hist +701 Rep:Mod:cr810module3 →Anti2 Conformer
- 15:2715:27, 28 October 2012 diff hist 0 File:Anti2.mol uploaded a new version of "File:Anti2.mol"
- 15:2715:27, 28 October 2012 diff hist 0 N File:Anti 2.png No edit summary current
- 15:1515:15, 28 October 2012 diff hist +25 Rep:Mod:cr810module3 →Gauche
- 14:5114:51, 28 October 2012 diff hist 0 Rep:Mod:cr810module3 →Cope Rearrangement Tutorial
