User contributions for At6318
Appearance
5 May 2020
- 13:1913:19, 5 May 2020 diff hist +13 MRD:at6318 →Comparison of the mep and trajectory
- 13:1813:18, 5 May 2020 diff hist +278 MRD:at6318 →Comparison of the mep and trajectory
- 12:4812:48, 5 May 2020 diff hist +658 MRD:at6318 →EXERCISE 1: H + H2 system
- 12:4612:46, 5 May 2020 diff hist +424 MRD:at6318 →Comparison of the mep and trajectory
- 12:0812:08, 5 May 2020 diff hist 0 N File:Mepat6318.png No edit summary current
- 12:0612:06, 5 May 2020 diff hist 0 N File:Dynamicsat6318.png No edit summary current
- 12:0312:03, 5 May 2020 diff hist +358 MRD:at6318 →Comparison of the mep and trajectory
- 11:3711:37, 5 May 2020 diff hist +53 MRD:at6318 →Comparison of the mep and trajectory
- 11:2511:25, 5 May 2020 diff hist +68 MRD:at6318 →Comparison of the mep and trajectory
- 11:1511:15, 5 May 2020 diff hist +11 MRD:at6318 →Estimation of the transition state position
- 10:5510:55, 5 May 2020 diff hist +68 MRD:at6318 →Estimation of the transition state position
- 10:5210:52, 5 May 2020 diff hist +6 MRD:at6318 No edit summary
- 10:5110:51, 5 May 2020 diff hist 0 N File:Rts 90.775at6318.png No edit summary current
- 10:5010:50, 5 May 2020 diff hist +206 MRD:at6318 →Estimation of the transition state position
4 May 2020
- 20:2020:20, 4 May 2020 diff hist +1 MRD:at6318 →EXERCISE 1: H + H2 system
- 15:2615:26, 4 May 2020 diff hist +92 MRD:at6318 →EXERCISE 1: H + H2 system
- 15:2415:24, 4 May 2020 diff hist +45 MRD:at6318 →Transition State
- 15:0715:07, 4 May 2020 diff hist −23 MRD:at6318 →Transition State
- 14:5714:57, 4 May 2020 diff hist +344 MRD:at6318 →Transition State
- 14:3614:36, 4 May 2020 diff hist +403 MRD:at6318 →Potential Energy Tag: Visual edit: Switched
- 14:1114:11, 4 May 2020 diff hist +117 MRD:at6318 →Estimation of the transition state position
- 14:0314:03, 4 May 2020 diff hist +369 MRD:at6318 →Potential Energy
- 14:0214:02, 4 May 2020 diff hist +110 MRD:at6318 No edit summary
- 13:0313:03, 4 May 2020 diff hist +145 N MRD:at6318 Created page with "Potential Energy On a potential energy diagram the '''transition state''' can mathematically be defined as a saddle point. ∂V(ri)/∂ri=0"
15 March 2019
- 11:4711:47, 15 March 2019 diff hist +28 Rep:Title=Mod:AT6318 →Summary of molecule
- 11:4611:46, 15 March 2019 diff hist +28 Rep:Title=Mod:AT6318 →Summary of molecule
- 11:4511:45, 15 March 2019 diff hist +28 Rep:Title=Mod:AT6318 →H2
- 11:4411:44, 15 March 2019 diff hist +28 Rep:Title=Mod:AT6318 No edit summary
- 11:4211:42, 15 March 2019 diff hist +28 Rep:Title=Mod:AT6318 No edit summary
- 11:2411:24, 15 March 2019 diff hist +214 Rep:Title=Mod:AT6318 →Molecular Orbitals
- 11:2211:22, 15 March 2019 diff hist +335 Rep:Title=Mod:AT6318 →Molecular Orbitals
- 11:1511:15, 15 March 2019 diff hist +1,409 Rep:Title=Mod:AT6318 No edit summary
- 11:1411:14, 15 March 2019 diff hist 0 N File:Cl2vibrationat6318.png No edit summary current
- 11:1211:12, 15 March 2019 diff hist 0 N File:Cl2at6318displayvibration.png No edit summary current
- 11:0611:06, 15 March 2019 diff hist 0 N File:AT6318CL2OPTIMISATION.LOG No edit summary current
- 10:5410:54, 15 March 2019 diff hist +42 Rep:Title=Mod:AT6318 →Molecular Orbitals
- 10:5210:52, 15 March 2019 diff hist +456 Rep:Title=Mod:AT6318 No edit summary
- 10:3510:35, 15 March 2019 diff hist −14 Rep:Title=Mod:AT6318 →Molecular Dimensions
- 10:3510:35, 15 March 2019 diff hist −14 Rep:Title=Mod:AT6318 →Molecular Dimensions
- 10:2810:28, 15 March 2019 diff hist +861 Rep:Title=Mod:AT6318 No edit summary
- 10:2710:27, 15 March 2019 diff hist 0 N File:LUMO 2PI AT6318.png No edit summary current
- 10:2410:24, 15 March 2019 diff hist 0 N File:1PIAT6318.png No edit summary current
- 10:2310:23, 15 March 2019 diff hist 0 N File:HOMO AT6318.png No edit summary current
- 09:5309:53, 15 March 2019 diff hist 0 N File:3rdorbitalat6318.png No edit summary current
- 09:5209:52, 15 March 2019 diff hist 0 N File:2ndOrbitalat6318.png No edit summary current
- 09:4609:46, 15 March 2019 diff hist 0 N File:1stOrbitalat6318.png No edit summary current
14 March 2019
- 14:5814:58, 14 March 2019 diff hist +1 Rep:Title=Mod:AT6318 →Charge Distribution
- 14:5714:57, 14 March 2019 diff hist +409 Rep:Title=Mod:AT6318 No edit summary
- 14:5314:53, 14 March 2019 diff hist 0 N File:VibrationCOAT6318.png No edit summary current
- 14:5014:50, 14 March 2019 diff hist −5 Rep:Title=Mod:AT6318 →ClF3