User contributions for Dk2016

10 May 2019

• 09:1909:19, 10 May 2019 diff hist +49 MRD:dk2016 No edit summary
• 09:0609:06, 10 May 2019 diff hist +2,514 MRD:dk2016 No edit summary
• 08:2108:21, 10 May 2019 diff hist 0 N File:Dk2016Image1.PNG No edit summary current
• 08:2108:21, 10 May 2019 diff hist +27 MRD:dk2016 No edit summary
• 08:2008:20, 10 May 2019 diff hist +563 MRD:dk2016 No edit summary
• 07:2507:25, 10 May 2019 diff hist +189 MRD:dk2016 No edit summary

9 May 2019

• 09:4409:44, 9 May 2019 diff hist +418 MRD:dk2016 No edit summary
• 07:3907:39, 9 May 2019 diff hist +1,774 N MRD:dk2016 Created page with "Daniel Kirrane - dk2016 - Molecular reaction dynamics Computational lab - CID: 011907090 Questions for Summer Computational Lab 1: Exercise 1: 1. On a potential energy surf..."

24 February 2017

• 11:0411:04, 24 February 2017 diff hist −120 Rep:Mod:dk2016 No edit summary
• 10:5510:55, 24 February 2017 diff hist −2 Rep:Mod:dk2016 No edit summary
• 10:5510:55, 24 February 2017 diff hist 0 N File:DK2016 N2 OPTF POP.LOG No edit summary current
• 10:5410:54, 24 February 2017 diff hist +840 Rep:Mod:dk2016 No edit summary
• 10:3510:35, 24 February 2017 diff hist −2 Rep:Mod:dk2016 No edit summary
• 10:3510:35, 24 February 2017 diff hist 0 N File:3 DK2016 N2 OPTF POP.LOG No edit summary current
• 10:3210:32, 24 February 2017 diff hist +2 Rep:Mod:dk2016 No edit summary
• 10:3110:31, 24 February 2017 diff hist 0 N File:2 DK2016 H2 OPTF POP.LOG No edit summary current
• 10:3010:30, 24 February 2017 diff hist 0 N File:2 DK2016 N2 OPTF POP.LOG No edit summary current
• 10:3010:30, 24 February 2017 diff hist +1,193 Rep:Mod:dk2016 No edit summary
• 10:0010:00, 24 February 2017 diff hist 0 N File:Dk2016 dk2016 SiH4 MO 1.PNG No edit summary current
• 10:0010:00, 24 February 2017 diff hist +38 Rep:Mod:dk2016 No edit summary
• 09:5909:59, 24 February 2017 diff hist +1,072 Rep:Mod:dk2016 No edit summary

23 February 2017

• 21:5721:57, 23 February 2017 diff hist +312 Rep:Mod:dk2016 No edit summary
• 21:3921:39, 23 February 2017 diff hist 0 N File:Dk2016 dk2016 SiH4 MO 2 & 3.PNG No edit summary current
• 21:3921:39, 23 February 2017 diff hist 0 N File:Dk2016 dk2016 SiH4 MO 10.PNG No edit summary current
• 21:3821:38, 23 February 2017 diff hist 0 N File:Dk2016 dk2016 SiH4 MO 8 & 6.PNG No edit summary current
• 21:3821:38, 23 February 2017 diff hist +135 Rep:Mod:dk2016 No edit summary
• 21:1121:11, 23 February 2017 diff hist 0 N File:DK2016 SiH4 OPTF POP.LOG No edit summary current
• 21:1021:10, 23 February 2017 diff hist 0 File:DK2016 SIH4 OPTF POP.LOG Dk2016 uploaded a new version of File:DK2016 SIH4 OPTF POP.LOG current
• 21:1021:10, 23 February 2017 diff hist +77 Rep:Mod:dk2016 No edit summary
• 21:0821:08, 23 February 2017 diff hist +2,105 Rep:Mod:dk2016 No edit summary
• 21:0621:06, 23 February 2017 diff hist +52 Rep:Mod:dk2016 No edit summary
• 21:0621:06, 23 February 2017 diff hist 0 N File:Dk2016 display vibrations window SiH4.PNG No edit summary current
• 21:0421:04, 23 February 2017 diff hist 0 N File:Dk2016 display vibrations window SiH4.png No edit summary current
• 21:0421:04, 23 February 2017 diff hist +248 Rep:Mod:dk2016 No edit summary
• 20:4920:49, 23 February 2017 diff hist 0 N File:DK2016 SIH4 OPTF POP.LOG No edit summary
• 20:4720:47, 23 February 2017 diff hist +483 Rep:Mod:dk2016 N
• 10:5210:52, 23 February 2017 diff hist +54 Rep:Mod:dk2016 No edit summary
• 10:4010:40, 23 February 2017 diff hist 0 N File:2 dk2016 display vibrations window.jpg No edit summary current
• 10:4010:40, 23 February 2017 diff hist +3,081 Rep:Mod:dk2016 No edit summary

20 February 2017

• 11:5911:59, 20 February 2017 diff hist +2,287 Rep:Mod:dk2016 No edit summary
• 11:4411:44, 20 February 2017 diff hist 0 N File:DK2016 H2 OPTF POP.LOG No edit summary current
• 11:0311:03, 20 February 2017 diff hist 0 N File:Dk2016 display vibrations window.png No edit summary current
• 10:3810:38, 20 February 2017 diff hist +76 Rep:Mod:dk2016 No edit summary
• 10:3610:36, 20 February 2017 diff hist 0 N File:DK2016 aNH3 OPTF POP.log No edit summary current
• 10:3010:30, 20 February 2017 diff hist +176 Rep:Mod:dk2016 No edit summary
• 10:2410:24, 20 February 2017 diff hist 0 File:DK2016 NH3 OPTF POP.LOG Dk2016 uploaded a new version of File:DK2016 NH3 OPTF POP.LOG current
• 10:1710:17, 20 February 2017 diff hist 0 N File:DK2016 NH3 OPTF POP.LOG No edit summary
• 10:1510:15, 20 February 2017 diff hist −16 Rep:Mod:dk2016 No edit summary
• 10:1310:13, 20 February 2017 diff hist +31 m Rep:Mod:dk2016 No edit summary Tag: Visual edit
• 10:1210:12, 20 February 2017 diff hist +568 N Rep:Mod:dk2016 Created page with "'''Introduction to molecular modelling 2''' NH₃ molecule: Calculation method: RB3LYP Basis set: 6-31G(d,p) Final energy (E(RB3LYP)): -56.55776873 a.u. RMS Gra..."