User contributions for Ds5517

21 May 2019

• 22:4922:49, 21 May 2019 diff hist +1,096 MRD:ds5517 →Exercise 1: H + H2 system
• 22:2422:24, 21 May 2019 diff hist +2 MRD:ds5517 →Calculating the reaction path
• 22:1822:18, 21 May 2019 diff hist +14 MRD:ds5517 →Trajectories from r1 = r2: locating the transition states
• 22:1822:18, 21 May 2019 diff hist +6 MRD:ds5517 →Trajectories from r1 = r2: locating the transition states
• 22:1722:17, 21 May 2019 diff hist −6 MRD:ds5517 →Trajectories from r1 = r2: locating the transition states
• 22:1722:17, 21 May 2019 diff hist +556 MRD:ds5517 →Trajectories from r1 = r2: locating the transition states
• 21:5721:57, 21 May 2019 diff hist −2 MRD:ds5517 →Trajectories from r1 = r2: locating the transition states
• 21:5621:56, 21 May 2019 diff hist +66 MRD:ds5517 →Exercise 1: H + H2 system
• 21:5521:55, 21 May 2019 diff hist +91 MRD:ds5517 No edit summary
• 21:5221:52, 21 May 2019 diff hist +599 MRD:ds5517 No edit summary
• 15:4915:49, 21 May 2019 diff hist +6 MRD:ds5517 No edit summary
• 15:4815:48, 21 May 2019 diff hist +91 MRD:ds5517 No edit summary
• 15:4415:44, 21 May 2019 diff hist +33 MRD:ds5517 No edit summary
• 15:4315:43, 21 May 2019 diff hist 0 N File:Dori TS distvstime.PNG No edit summary current
• 15:4315:43, 21 May 2019 diff hist +71 MRD:ds5517 No edit summary
• 15:4315:43, 21 May 2019 diff hist 0 N File:Dori trajectory MEP.PNG No edit summary current
• 15:4215:42, 21 May 2019 diff hist 0 N File:Dori trajectory dynamic.PNG No edit summary current
• 15:4215:42, 21 May 2019 diff hist +77 MRD:ds5517 No edit summary
• 15:4215:42, 21 May 2019 diff hist 0 N File:Dori traj distvstime MEP.PNG No edit summary current
• 15:4115:41, 21 May 2019 diff hist 0 N File:Dori traj distvstime dyn.PNG No edit summary current
• 15:4115:41, 21 May 2019 diff hist +102 MRD:ds5517 No edit summary
• 15:3515:35, 21 May 2019 diff hist 0 N File:Dori minimax.PNG No edit summary current
• 15:0215:02, 21 May 2019 diff hist +494 N MRD:ds5517 Created page with "'''On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from..."

20 May 2019

• 14:5914:59, 20 May 2019 diff hist −33 Rep:Mod:ds5517 →Charge Distributions
• 14:5314:53, 20 May 2019 diff hist +2 Rep:Mod:ds5517 →summary table
• 14:5314:53, 20 May 2019 diff hist 0 N File:Dori bh3 sym sum.PNG No edit summary current
• 12:1812:18, 20 May 2019 diff hist 0 Rep:Mod:ds5517 →RB3LYP / 6-31G(d,p)
• 12:1812:18, 20 May 2019 diff hist 0 Rep:Mod:ds5517 →RB3LYP / 6-31G(d,p)
• 12:1712:17, 20 May 2019 diff hist 0 Rep:Mod:ds5517 →RB3LYP / 6-31G(d,p)
• 12:1712:17, 20 May 2019 diff hist 0 Rep:Mod:ds5517 →RB3LYP / 6-31G(d,p)
• 12:1712:17, 20 May 2019 diff hist 0 Rep:Mod:ds5517 →RB3LYP / 6-31G(d,p)
• 12:1712:17, 20 May 2019 diff hist 0 Rep:Mod:ds5517 →RB3LYP / 6-31G(d,p)
• 12:1512:15, 20 May 2019 diff hist +192 Rep:Mod:ds5517 →BH3 MO Diagram

19 May 2019

• 17:0917:09, 19 May 2019 diff hist +18 Rep:Mod:ds5517 →BH3 MO Diagram
• 17:0717:07, 19 May 2019 diff hist −33 Rep:Mod:ds5517 →References
• 17:0517:05, 19 May 2019 diff hist +154 Rep:Mod:ds5517 →BH3 MO Diagram

17 May 2019

• 18:4618:46, 17 May 2019 diff hist +111 Rep:Mod:ds5517 →References
• 18:2418:24, 17 May 2019 diff hist +1 Rep:Mod:ds5517 →References
• 18:2318:23, 17 May 2019 diff hist +91 Rep:Mod:ds5517 →References
• 18:2318:23, 17 May 2019 diff hist +49 Rep:Mod:ds5517 →Association Energy
• 18:0518:05, 17 May 2019 diff hist +149 Rep:Mod:ds5517 →Association Energy
• 17:5817:58, 17 May 2019 diff hist +50 Rep:Mod:ds5517 →Charge Distributions
• 17:5717:57, 17 May 2019 diff hist +214 Rep:Mod:ds5517 →Charge Distributions
• 17:2817:28, 17 May 2019 diff hist +1 Rep:Mod:ds5517 →jmol
• 17:2817:28, 17 May 2019 diff hist −3 Rep:Mod:ds5517 →jmol
• 17:1817:18, 17 May 2019 diff hist +7 Rep:Mod:ds5517 →IR spectrum
• 17:1717:17, 17 May 2019 diff hist +556 Rep:Mod:ds5517 →IR spectrum
• 16:1316:13, 17 May 2019 diff hist −3 Rep:Mod:ds5517 →low frequencies
• 15:5715:57, 17 May 2019 diff hist +155 Rep:Mod:ds5517 →References
• 15:4315:43, 17 May 2019 diff hist −5 Rep:Mod:ds5517 →References