User contributions for Ns3516

25 May 2018

• 13:2813:28, 25 May 2018 diff hist 0 N File:4.contour plot.PNG No edit summary current
• 13:2813:28, 25 May 2018 diff hist 0 N File:3.contour plot.PNG No edit summary current
• 13:2713:27, 25 May 2018 diff hist 0 N File:2.contour plot.PNG No edit summary current
• 13:2613:26, 25 May 2018 diff hist 0 N File:1.contour plot.PNG No edit summary current
• 13:2213:22, 25 May 2018 diff hist +246 MRD:ns3516cp3md →Reaction path
• 13:2013:20, 25 May 2018 diff hist 0 N File:UPDATED internuclear distances vs time DYNAMIC.PNG No edit summary current
• 13:1913:19, 25 May 2018 diff hist 0 N File:UPDATED internuclear distances vs time MEP.PNG No edit summary current
• 13:1513:15, 25 May 2018 diff hist +539 MRD:ns3516cp3md →Reaction path
• 13:1313:13, 25 May 2018 diff hist 0 N File:Internuclear distances vs time DYNAMIC.PNG No edit summary current
• 13:1313:13, 25 May 2018 diff hist 0 N File:Internuclear distances vs time MEP.PNG No edit summary current
• 12:5812:58, 25 May 2018 diff hist 0 N File:Dynamic contour plot.PNG No edit summary current
• 12:5812:58, 25 May 2018 diff hist 0 N File:MEP contour plot.PNG No edit summary current
• 12:5512:55, 25 May 2018 diff hist +444 MRD:ns3516cp3md →Trajectories from r1 = r2: locating the transition state
• 12:4712:47, 25 May 2018 diff hist 0 N File:Locating the transition state contour plot.PNG No edit summary current
• 12:4612:46, 25 May 2018 diff hist 0 N File:Locating the transition state.PNG No edit summary current
• 12:4512:45, 25 May 2018 diff hist +310 MRD:ns3516cp3md →Trajectories from r1 = r2: locating the transition state
• 10:5010:50, 25 May 2018 diff hist +108 MRD:ns3516cp3md →EXERCISE 2: F-H-H system
• 09:0909:09, 25 May 2018 diff hist +86 MRD:ns3516cp3md →Dynamics from the transition state region
• 09:0609:06, 25 May 2018 diff hist 0 N File:Surface plot orthogonal.PNG No edit summary current
• 09:0509:05, 25 May 2018 diff hist 0 N File:Surface plot front.PNG No edit summary current

24 May 2018

• 19:4919:49, 24 May 2018 diff hist +1,264 MRD:ns3516cp3md →EXERCISE 2: F-H-H system
• 19:1819:18, 24 May 2018 diff hist +33 MRD:ns3516cp3md →EXERCISE 1: H + H2 system
• 19:1719:17, 24 May 2018 diff hist −103 MRD:ns3516cp3md →Transition state theory
• 19:1419:14, 24 May 2018 diff hist +1,383 MRD:ns3516cp3md →Transition state theory
• 18:5418:54, 24 May 2018 diff hist +33 MRD:ns3516cp3md →EXERCISE 1: H + H2 system
• 18:5318:53, 24 May 2018 diff hist +109 MRD:ns3516cp3md →Reactive and unreactive trajectories
• 18:5018:50, 24 May 2018 diff hist +226 MRD:ns3516cp3md →Reaction path
• 18:4918:49, 24 May 2018 diff hist +231 MRD:ns3516cp3md →Reactive and unreactive trajectories
• 18:1718:17, 24 May 2018 diff hist −6 MRD:ns3516cp3md →Dynamics from the transition state region
• 18:1718:17, 24 May 2018 diff hist −6 MRD:ns3516cp3md →Trajectories from r1 = r2: locating the transition state
• 18:1618:16, 24 May 2018 diff hist +47 MRD:ns3516cp3md →EXERCISE 1: H + H2 system
• 18:1518:15, 24 May 2018 diff hist +571 MRD:ns3516cp3md →Reaction path
• 18:1318:13, 24 May 2018 diff hist −1 MRD:ns3516cp3md →Dynamics from the transition state region
• 18:1218:12, 24 May 2018 diff hist +282 MRD:ns3516cp3md →Reaction path
• 17:3117:31, 24 May 2018 diff hist +23 MRD:ns3516cp3md No edit summary
• 17:2417:24, 24 May 2018 diff hist +249 MRD:ns3516cp3md →Trajectories from r1 = r2: locating the transition state
• 17:1417:14, 24 May 2018 diff hist +73 MRD:ns3516cp3md →EXERCISE 1: H + H2 system
• 17:1217:12, 24 May 2018 diff hist +46 MRD:ns3516cp3md →Dynamics from the transition state region
• 17:1117:11, 24 May 2018 diff hist +264 MRD:ns3516cp3md →Dynamics from the transition state region
• 16:5916:59, 24 May 2018 diff hist +298 MRD:ns3516cp3md →EXERCISE 1: H + H2 system
• 11:4011:40, 24 May 2018 diff hist +128 MRD:ns3516cp3md →EXERCISE 1: H + H2 system
• 11:0511:05, 24 May 2018 diff hist +585 MRD:ns3516cp3md →EXERCISE 1: H + H2 system
• 10:4310:43, 24 May 2018 diff hist +49 MRD:ns3516cp3md →EXERCISE 1: H + H2 system

22 May 2018

• 14:4314:43, 22 May 2018 diff hist +43 N MRD:ns3516cp3md Created page with "== EXERCISE 1: H + H₂ system =="

4 May 2018

• 16:5716:57, 4 May 2018 diff hist −142 Ns35162018 →Energy of the bond
• 16:5716:57, 4 May 2018 diff hist −60 Ns35162018 →Vibrational spectrum for BH3
• 16:5616:56, 4 May 2018 diff hist −360 Ns35162018 →Energy of the bond
• 16:5016:50, 4 May 2018 diff hist +49 Ns35162018 →MO for BH3
• 16:4816:48, 4 May 2018 diff hist +1 Ns35162018 →Project section - Aromaticity
• 16:4716:47, 4 May 2018 diff hist 0 N File:Borazine charge distribution2.PNG No edit summary current