User contributions for Hw7018

21 May 2020

• 03:3003:30, 21 May 2020 diff hist +578 MRD:hw7018 No edit summary
• 02:5902:59, 21 May 2020 diff hist +148 MRD:hw7018 No edit summary
• 02:4102:41, 21 May 2020 diff hist −11 MRD:hw7018 No edit summary
• 02:4002:40, 21 May 2020 diff hist +183 MRD:hw7018 No edit summary
• 02:3302:33, 21 May 2020 diff hist 0 N File:E1-Surface Plot-dynamics.png No edit summary current
• 02:3302:33, 21 May 2020 diff hist +6 MRD:hw7018 No edit summary
• 02:3202:32, 21 May 2020 diff hist 0 N File:Hw7018E1-Surface Plot-MEP1.png No edit summary current
• 02:2502:25, 21 May 2020 diff hist +89 MRD:hw7018 No edit summary
• 02:2302:23, 21 May 2020 diff hist 0 N File:Hw7018E1-Surface Plot-MEP.png No edit summary current
• 02:2302:23, 21 May 2020 diff hist +100 MRD:hw7018 No edit summary
• 02:2102:21, 21 May 2020 diff hist 0 N File:Hw7018E1-Surface Plot-dynamics.png No edit summary current
• 02:0102:01, 21 May 2020 diff hist +1,182 N MRD:hw7018 Created page with "==Excercise 1== On a potential energy surface diagram, how is the transition state mathematically defined? A transition state mathematically defined as ∂V(ri)/∂ri=0 (th..."

20 May 2020

• 14:4614:46, 20 May 2020 diff hist −2 Hw7018 No edit summary current
• 13:3813:38, 20 May 2020 diff hist +47 Hw7018 No edit summary
• 13:3713:37, 20 May 2020 diff hist +7 Hw7018 No edit summary
• 13:3713:37, 20 May 2020 diff hist +50 Hw7018 No edit summary
• 13:3613:36, 20 May 2020 diff hist 0 N File:Hw7018-E1-internuclear distance vs t.png No edit summary current
• 13:3213:32, 20 May 2020 diff hist +300 Hw7018 No edit summary
• 13:2413:24, 20 May 2020 diff hist +780 N Hw7018 Created page with "On a potential energy surface diagram, how is the transition state mathematically defined? The transition state mathematically defined as ∂V(ri)/∂ri=0 (the gradient of t..."

15 March 2019

• 12:4912:49, 15 March 2019 diff hist +12 Rep:Mod:01527432 →frequency analysis
• 12:4412:44, 15 March 2019 diff hist +1 Rep:Mod:01527432 →frequency analysis
• 12:4412:44, 15 March 2019 diff hist 0 N File:Hw7018 3590 2.PNG No edit summary current
• 12:4412:44, 15 March 2019 diff hist −1 Rep:Mod:01527432 →frequency analysis
• 12:4412:44, 15 March 2019 diff hist +32 Rep:Mod:01527432 →frequency analysis
• 12:4312:43, 15 March 2019 diff hist 0 N File:Hw7018 3590.PNG No edit summary current
• 12:4312:43, 15 March 2019 diff hist 0 Rep:Mod:01527432 →frequency analysis
• 12:4212:42, 15 March 2019 diff hist 0 N File:Hw7018 3461.PNG No edit summary current
• 12:4212:42, 15 March 2019 diff hist −1 Rep:Mod:01527432 →frequency analysis
• 12:4212:42, 15 March 2019 diff hist −3 Rep:Mod:01527432 →frequency analysis
• 12:4112:41, 15 March 2019 diff hist +6 Rep:Mod:01527432 →frequency analysis
• 12:4112:41, 15 March 2019 diff hist 0 N File:Hw7018 1694 2.PNG No edit summary current
• 12:4112:41, 15 March 2019 diff hist +128 Rep:Mod:01527432 →frequency analysis
• 12:4012:40, 15 March 2019 diff hist 0 N File:Hw7018 1694.PNG No edit summary current
• 12:4012:40, 15 March 2019 diff hist +10 Rep:Mod:01527432 No edit summary
• 12:3912:39, 15 March 2019 diff hist +34 Rep:Mod:01527432 →frequency analysis
• 12:3812:38, 15 March 2019 diff hist 0 N File:Hw7018 1090.PNG No edit summary current
• 12:3112:31, 15 March 2019 diff hist +18 Rep:Mod:01527432 →crystal structure
• 12:3012:30, 15 March 2019 diff hist 0 Rep:Mod:01527432 →jmol files
• 12:3012:30, 15 March 2019 diff hist +1 Rep:Mod:01527432 →jmol files
• 12:2912:29, 15 March 2019 diff hist +1 Rep:Mod:01527432 →optimisation
• 12:2312:23, 15 March 2019 diff hist +29 Rep:Mod:01527432 →optimisation
• 12:2212:22, 15 March 2019 diff hist +263 Rep:Mod:01527432 →MO
• 12:1612:16, 15 March 2019 diff hist +1 Rep:Mod:01527432 →reaction energies
• 12:1512:15, 15 March 2019 diff hist −10 Rep:Mod:01527432 →reaction energies
• 11:0511:05, 15 March 2019 diff hist +12 Rep:Mod:01527432 →optimisation
• 11:0411:04, 15 March 2019 diff hist +43 Rep:Mod:01527432 →optimisation
• 11:0111:01, 15 March 2019 diff hist 0 Rep:Mod:01527432 →frequency analysis
• 11:0011:00, 15 March 2019 diff hist −6 Rep:Mod:01527432 →frequency analysis
• 11:0011:00, 15 March 2019 diff hist 0 Rep:Mod:01527432 →frequency analysis
• 10:5810:58, 15 March 2019 diff hist +57 Rep:Mod:01527432 →frequency analysis