User contributions for Rah113
Appearance
7 March 2016
- 20:2520:25, 7 March 2016 diff hist +47 Rep:Mod:Shadow →MgO internal Energy
- 20:2220:22, 7 March 2016 diff hist 0 Rep:Mod:Shadow →MgO internal Energy
- 20:2120:21, 7 March 2016 diff hist +1 Rep:Mod:Shadow →MgO internal Energy
- 20:2120:21, 7 March 2016 diff hist +185 Rep:Mod:Shadow →MgO internal Energy
- 20:1820:18, 7 March 2016 diff hist 0 N File:Rah113-primative unit cell.png No edit summary current
- 20:1720:17, 7 March 2016 diff hist 0 N File:Rah113-conventional unit cell.png No edit summary current
18 February 2016
- 20:3320:33, 18 February 2016 diff hist +20 Rep:Mod:Shadow →Theory
- 20:3320:33, 18 February 2016 diff hist −821 Rep:Mod:Shadow →Phonon and DOS Calculations
15 February 2016
- 17:4517:45, 15 February 2016 diff hist +1,115 Rep:Mod:Shadow →Phonon and DOS Calculations
- 17:1517:15, 15 February 2016 diff hist +175 Rep:Mod:Shadow →Phonon and DOS Calculations
- 17:1217:12, 15 February 2016 diff hist 0 N File:RAH113-Replot at 50 points.jpg No edit summary current
- 16:1216:12, 15 February 2016 diff hist −14 Rep:Mod:Shadow →Refrences
- 16:1216:12, 15 February 2016 diff hist +14 Rep:Mod:Shadow →Refrences
- 16:1116:11, 15 February 2016 diff hist −16 Rep:Mod:Shadow No edit summary
10 February 2016
- 15:2615:26, 10 February 2016 diff hist +18 Rep:Mod:Shadow →Theory
- 14:4914:49, 10 February 2016 diff hist +19 Rep:Mod:Shadow →Theory
- 14:1514:15, 10 February 2016 diff hist +9 Rep:Mod:Shadow No edit summary
- 13:3713:37, 10 February 2016 diff hist +498 Rep:Mod:Shadow No edit summary
- 13:0813:08, 10 February 2016 diff hist +53 Rep:Mod:Shadow →MgO internal Energy
9 February 2016
- 21:2521:25, 9 February 2016 diff hist +93 Rep:Mod:Shadow No edit summary
- 21:1221:12, 9 February 2016 diff hist −45 Rep:Mod:Shadow →Program
- 21:0521:05, 9 February 2016 diff hist −1 Rep:Mod:Shadow →Program
- 21:0521:05, 9 February 2016 diff hist +48 Rep:Mod:Shadow No edit summary
- 21:0321:03, 9 February 2016 diff hist +23 Rep:Mod:Shadow →Program
- 21:0221:02, 9 February 2016 diff hist +114 Rep:Mod:Shadow No edit summary
- 20:5720:57, 9 February 2016 diff hist +220 Rep:Mod:Shadow →Program
- 20:4720:47, 9 February 2016 diff hist +184 N Rep:Mod:Shadow Created page with "==Introduction== ===Structure=== ===Program=== ===Calculations=== ==MgO internal Energy== ==Phonon Calculation== ==Harmonic approximation== ==Thermal Expansion== ==Molecular D..."
18 December 2015
- 10:4610:46, 18 December 2015 diff hist +229 Rep:Mod:7401041994 →Cyclohexadiene and Maleic Anhydride
- 10:4210:42, 18 December 2015 diff hist −1 Rep:Mod:7401041994 →Cyclohexadiene and Maleic Anhydride
- 10:3610:36, 18 December 2015 diff hist +1 Rep:Mod:7401041994 →Optimising Transition States
- 10:1110:11, 18 December 2015 diff hist +316 Rep:Mod:7401041994 →Optimising products and reactants
- 10:0410:04, 18 December 2015 diff hist +150 Rep:Mod:7401041994 →Optimising products and reactants
- 09:5409:54, 18 December 2015 diff hist +187 Rep:Mod:7401041994 No edit summary
- 01:3501:35, 18 December 2015 diff hist +1,430 Rep:Mod:7401041994 →Computational Theory
17 December 2015
- 16:3516:35, 17 December 2015 diff hist +28 Rep:Mod:7401041994 →Semi-empirical AM1
- 16:3516:35, 17 December 2015 diff hist +125 Rep:Mod:7401041994 →DFT
- 16:3116:31, 17 December 2015 diff hist −62 Rep:Mod:7401041994 →Hartree-Fock
- 16:2916:29, 17 December 2015 diff hist 0 Rep:Mod:7401041994 →Cyclohexadiene and Maleic Anhydride
- 16:2916:29, 17 December 2015 diff hist 0 Rep:Mod:7401041994 →Cyclohexadiene and Maleic Anhydride
- 16:2716:27, 17 December 2015 diff hist 0 Rep:Mod:7401041994 →Cyclohexadiene and Maleic Anhydride
- 16:2716:27, 17 December 2015 diff hist −162 Rep:Mod:7401041994 →Cyclohexadiene and Maleic Anhydride
- 16:2616:26, 17 December 2015 diff hist +109 Rep:Mod:7401041994 →Optimising Transition States
- 16:2516:25, 17 December 2015 diff hist +55 Rep:Mod:7401041994 →Cyclohexadiene and Maleic Anhydride
- 16:1616:16, 17 December 2015 diff hist +71 Rep:Mod:7401041994 →Cyclohexadiene and Maleic Anhydride
- 16:1416:14, 17 December 2015 diff hist 0 File:Rah113-TS EXO IRC DFTB3LYP.mol Rah113 uploaded a new version of File:Rah113-TS EXO IRC DFTB3LYP.mol current
- 16:1316:13, 17 December 2015 diff hist +289 Rep:Mod:7401041994 →Cyclohexadiene and Maleic Anhydride
- 16:1116:11, 17 December 2015 diff hist 0 N File:Rah113-TS EXO IRC DFTB3LYP.mol No edit summary
- 14:2314:23, 17 December 2015 diff hist +850 Rep:Mod:7401041994 No edit summary
- 14:1514:15, 17 December 2015 diff hist −16 Rep:Mod:7401041994 →Cyclohexadiene and Maleic Anhydride
- 14:1314:13, 17 December 2015 diff hist −175 Rep:Mod:7401041994 →Diels Alder Cycloaddition