User contributions for Lh2213
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25 February 2016
- 14:5514:55, 25 February 2016 diff hist +276 Rep:Mod:L Harnett Trans Struct No edit summary
- 14:5014:50, 25 February 2016 diff hist −33 Rep:Mod:L Harnett Trans Struct →(i) Optimizing cis-Butadiene and Visualizing the HOMO and LUMO Tag: Visual edit
- 14:4414:44, 25 February 2016 diff hist +31 Rep:Mod:L Harnett Trans Struct →Determining the Lowest Energy Conformer, via the Transition State, using the IRC Method Tag: Visual edit
- 14:3614:36, 25 February 2016 diff hist +56 Rep:Mod:L Harnett Trans Struct →Determining the Lowest Energy Conformer, via the Transition State, using the IRC Method
- 14:2314:23, 25 February 2016 diff hist +95 Rep:Mod:L Harnett Trans Struct →(i) Optimizing cis-Butadiene and Visualizing the HOMO and LUMO
- 14:2314:23, 25 February 2016 diff hist 0 N File:Ethylene-lumo.png No edit summary current
- 14:2314:23, 25 February 2016 diff hist 0 N File:Ethylene-homo.png No edit summary current
- 14:2114:21, 25 February 2016 diff hist +575 Rep:Mod:L Harnett Trans Struct →Optimizing to the Boat Transition Structure (QST2 Method)
- 14:0114:01, 25 February 2016 diff hist −7 Rep:Mod:L Harnett Trans Struct →Vibrations and Thermochemistry Data
- 13:5613:56, 25 February 2016 diff hist +1 Rep:Mod:L Harnett Trans Struct →Optimizing to the Chair Transition Structure (Guess Structure Method)
- 13:4513:45, 25 February 2016 diff hist +280 Rep:Mod:L Harnett Trans Struct →Optimizing to the Boat Transition Structure (QST2 Method)
- 13:4113:41, 25 February 2016 diff hist +57 Rep:Mod:L Harnett Trans Struct →Optimizing to the Boat Transition Structure (QST2 Method)
- 13:4013:40, 25 February 2016 diff hist 0 N File:OTCABTS(E)-Product2.png No edit summary current
- 13:3913:39, 25 February 2016 diff hist 0 N File:OTCABTS(E)-Product.png No edit summary current
- 13:3213:32, 25 February 2016 diff hist +90 Rep:Mod:L Harnett Trans Struct →Re-optimizing the Chair and Boat Transition Structures via the B3LYP/6-31G* Method and Calculating the Activation Energies
- 13:2213:22, 25 February 2016 diff hist +412 Rep:Mod:L Harnett Trans Struct →Optimizing to the Boat Transition Structure (QST2 Method) Tag: Visual edit
- 13:1113:11, 25 February 2016 diff hist +1 Rep:Mod:L Harnett Trans Struct →Optimizing to the Boat Transition Structure (QST2 Method)
- 13:0413:04, 25 February 2016 diff hist +32 Rep:Mod:L Harnett Trans Struct →Optimizing to the Chair Transition Structure (Frozen Coordinate Method)
- 13:0213:02, 25 February 2016 diff hist +4 Rep:Mod:L Harnett Trans Struct →Optimizing to the Chair Transition Structure (Frozen Coordinate Method)
- 13:0213:02, 25 February 2016 diff hist +133 Rep:Mod:L Harnett Trans Struct →Optimizing to the Chair Transition Structure (Frozen Coordinate Method)
- 12:5712:57, 25 February 2016 diff hist +314 Rep:Mod:L Harnett Trans Struct →Optimizing to the Chair Transition Structure (Frozen Coordinate Method) Tag: Visual edit
- 12:4912:49, 25 February 2016 diff hist +603 Rep:Mod:L Harnett Trans Struct →Vibrations and Thermochemistry Data Tag: Visual edit
- 11:1811:18, 25 February 2016 diff hist −1 Rep:Mod:L Harnett Trans Struct No edit summary
- 11:1611:16, 25 February 2016 diff hist +272 Rep:Mod:L Harnett Trans Struct →Optimizing to the Chair Transition Structure (Frozen Coordinate Method)
- 10:5810:58, 25 February 2016 diff hist −6 Rep:Mod:L Harnett Trans Struct →Optimizing to the Chair Transition Structure (Guess Structure Method)
- 10:5710:57, 25 February 2016 diff hist 0 Rep:Mod:L Harnett Trans Struct →Optimizing to the Chair Transition Structure (Guess Structure Method)
- 10:5610:56, 25 February 2016 diff hist +686 Rep:Mod:L Harnett Trans Struct →Optimizing the "Chair" and "Boat" Transition Structures Tag: Visual edit
- 00:0000:00, 25 February 2016 diff hist +147 Rep:Mod:L Harnett Trans Struct →(iii) Observing the Regioselectivity of the Diels-Alder Reaction
24 February 2016
- 23:5823:58, 24 February 2016 diff hist +49 Rep:Mod:L Harnett Trans Struct →Determining the Lowest Energy Conformer, via the Transition State, using the IRC Method
- 23:5323:53, 24 February 2016 diff hist −48 Rep:Mod:L Harnett Trans Struct →Optimizing to the Chair Transition Structure (Frozen Coordinate Method)
- 23:5223:52, 24 February 2016 diff hist −75 Rep:Mod:L Harnett Trans Struct No edit summary Tag: Visual edit
- 23:4223:42, 24 February 2016 diff hist +117 Rep:Mod:L Harnett Trans Struct →Associated Output Files Tag: Visual edit
- 23:3123:31, 24 February 2016 diff hist +672 Rep:Mod:L Harnett Trans Struct →The HF Calculation Method Tag: Visual edit
- 22:4622:46, 24 February 2016 diff hist +83 Rep:Mod:L Harnett Trans Struct →The HF Calculation Method Tag: Visual edit
- 22:3722:37, 24 February 2016 diff hist −198 Rep:Mod:L Harnett Trans Struct →Comparison of B3LYP/6-31G* to the HF/3-21G Level of Theory
- 22:3522:35, 24 February 2016 diff hist +206 Rep:Mod:L Harnett Trans Struct →Comparison of the Energies of the Anti and Gauche Conformers Tag: Visual edit
- 22:1222:12, 24 February 2016 diff hist +928 Rep:Mod:L Harnett Trans Struct →Comparison of the Energies of the Anti and Gauche Conformers Tag: Visual edit
23 February 2016
- 23:0323:03, 23 February 2016 diff hist +264 Rep:Mod:L Harnett Trans Struct →(ii) Finding the Transition State Geometry of the Diels-Alder Prototype Reaction
- 22:4922:49, 23 February 2016 diff hist +27 Rep:Mod:L Harnett Trans Struct →(i) Optimizing cis-Butadiene and Visualizing the HOMO and LUMO
- 22:4722:47, 23 February 2016 diff hist +58 Rep:Mod:L Harnett Trans Struct →(i) Optimizing cis-Butadiene and Visualizing the HOMO and LUMO
- 22:4022:40, 23 February 2016 diff hist 0 Rep:Mod:L Harnett Trans Struct →Comparison of the Energies of the Anti and Gauche Conformers
- 22:4022:40, 23 February 2016 diff hist 0 Rep:Mod:L Harnett Trans Struct →Comparison of the Energies of the Anti and Gauche Conformers
- 22:3422:34, 23 February 2016 diff hist +123 Rep:Mod:L Harnett Trans Struct →(a) Forming the Chair Transition State from Allyl Fragments
- 22:1622:16, 23 February 2016 diff hist 0 Rep:Mod:L Harnett Trans Struct →Vibrations and Thermochemistry Data
- 22:1422:14, 23 February 2016 diff hist 0 Rep:Mod:L Harnett Trans Struct →Vibrations and Thermochemistry Data
- 22:1322:13, 23 February 2016 diff hist +45 Rep:Mod:L Harnett Trans Struct →The Cope Rearrangement
- 17:5917:59, 23 February 2016 diff hist +263 Rep:Mod:L Harnett Trans Struct →Optimizing the "Chair" and "Boat" Transition Structures
- 17:5917:59, 23 February 2016 diff hist 0 N File:OTCABTS(F)III.png No edit summary current
- 17:5917:59, 23 February 2016 diff hist 0 N File:OTCABTS(F)II.png No edit summary current
- 17:5817:58, 23 February 2016 diff hist 0 N File:OTCABTS(F)I.png No edit summary current