User contributions for Kga08
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23 March 2011
- 12:1012:10, 23 March 2011 diff hist 0 N File:TS FOUND V1 HOMO image2.jpg No edit summary current
- 12:1012:10, 23 March 2011 diff hist 0 N File:TS FOUND V1 HOMO image1.jpg No edit summary current
- 12:0512:05, 23 March 2011 diff hist +13 m Rep:Mod:kga08module3wiki →Higher Level Calculations for Activation Energy Determination
- 12:0412:04, 23 March 2011 diff hist +782 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
- 11:5311:53, 23 March 2011 diff hist +16 m Rep:Mod:kga08module3wiki →Experimental: Butadiene and Ethylene
- 11:5211:52, 23 March 2011 diff hist −15 m Rep:Mod:kga08module3wiki No edit summary
- 11:4911:49, 23 March 2011 diff hist +152 m Rep:Mod:kga08module3wiki →Conclusions
- 11:4811:48, 23 March 2011 diff hist +1 Rep:Mod:kga08module3wiki →Analysis of the Hexadiene Optimisations
- 11:4811:48, 23 March 2011 diff hist +24 m Rep:Mod:kga08module3wiki →Analysis of the Hexadiene Optimisations
- 11:4711:47, 23 March 2011 diff hist −44 m Rep:Mod:kga08module3wiki →Analysis of the Hexadiene Optimisations
- 11:4311:43, 23 March 2011 diff hist +475 m Rep:Mod:kga08module3wiki →Energy Calculations at Other Temperatures
- 11:3411:34, 23 March 2011 diff hist +106 m Rep:Mod:kga08module3wiki →Conclusions
- 11:1211:12, 23 March 2011 diff hist +436 Rep:Mod:kga08module3wiki →Calculations at Lower Temperatures
- 11:0911:09, 23 March 2011 diff hist 0 N File:Temp Study Graph kga08.jpg No edit summary current
- 10:4510:45, 23 March 2011 diff hist +104 m Mod:Reference Formatting Program →Download the Latest Version
- 10:1810:18, 23 March 2011 diff hist +314 Mod:Reference Formatting Program →Download the Latest Version
- 10:1510:15, 23 March 2011 diff hist 0 N File:Reference Formatting Program v1.07 Beta.xlsm No edit summary current
- 10:1410:14, 23 March 2011 diff hist +1 Mod:Reference Formatting Program No edit summary
- 10:1410:14, 23 March 2011 diff hist 0 N File:Image of Ref Program2.png No edit summary current
22 March 2011
- 19:1919:19, 22 March 2011 diff hist −1 m Rep:Mod:kga08module3wiki →PS
- 19:1819:18, 22 March 2011 diff hist +1,150 m Rep:Mod:kga08module3wiki →References
- 19:1819:18, 22 March 2011 diff hist +555 m Rep:Mod:kga08module3wiki →Activation Energy
- 19:0619:06, 22 March 2011 diff hist +6 m Rep:Mod:kga08module3wiki →Higher Level Calculations for Activation Energy Determination
- 19:0419:04, 22 March 2011 diff hist −115 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
- 19:0219:02, 22 March 2011 diff hist +1 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
- 19:0219:02, 22 March 2011 diff hist 0 N File:TS FOUND V1 IRC rv graph kga082.jpg No edit summary current
- 18:5618:56, 22 March 2011 diff hist +151 m Rep:Mod:kga08module3wiki →Semi-Empirical Calculations to Probe the Mechanism of Maleic Anhydride with 1,3-Cyclohexadiene
- 18:5618:56, 22 March 2011 diff hist −49 Rep:Mod:kga08module3wiki →Outline: Reaction of Butadiene with Ethylene
- 18:5518:55, 22 March 2011 diff hist 0 N File:Overall reaction scheme kga08.jpg No edit summary current
- 18:5218:52, 22 March 2011 diff hist +56 m Rep:Mod:kga08module3wiki →Locating the Transition State of the Reaction
- 18:4918:49, 22 March 2011 diff hist −1 m Rep:Mod:kga08module3wiki →Frontier Orbitals of the Fragments
- 18:4918:49, 22 March 2011 diff hist +99 m Rep:Mod:kga08module3wiki →Frontier Orbitals of the Fragments
- 18:4818:48, 22 March 2011 diff hist +15 m Rep:Mod:kga08module3wiki →Experimental: Butadiene and Ethylene
- 18:4518:45, 22 March 2011 diff hist +8 m Rep:Mod:kga08module3wiki →Experimental: Butadiene and Ethylene
- 18:4518:45, 22 March 2011 diff hist +16 m Rep:Mod:kga08module3wiki →Experimental: Butadiene and Ethylene
- 18:4318:43, 22 March 2011 diff hist +34 m Rep:Mod:kga08module3wiki →Outline: Reaction of Butadiene with Ethylene
- 18:4218:42, 22 March 2011 diff hist +118 m Rep:Mod:kga08module3wiki →Outline: Reaction of Butadiene with Ethylene
- 18:4118:41, 22 March 2011 diff hist 0 N File:MA CHD DIELS ALDER RS kga08.jpg No edit summary current
- 18:3418:34, 22 March 2011 diff hist +9 m Rep:Mod:kga08module3wiki →Reaction of Butadiene with Ethylene
- 18:3218:32, 22 March 2011 diff hist −2 m Rep:Mod:kga08module3wiki →Conclusions
- 18:3218:32, 22 March 2011 diff hist +1,970 Rep:Mod:kga08module3wiki →Activation Energy
- 18:1518:15, 22 March 2011 diff hist +210 m Rep:Mod:kga08module3wiki →Activation Energy
- 18:1118:11, 22 March 2011 diff hist +289 m Rep:Mod:kga08module3wiki →Activation Energy
- 17:4917:49, 22 March 2011 diff hist +348 m Rep:Mod:kga08module3wiki →Intrinsic Reaction Coordinate: Linking the Reactant and Product to Each Other Via the Transition State
- 17:3917:39, 22 March 2011 diff hist +81 m Rep:Mod:kga08module3wiki →QST2 Method for Optimising the Boat Transition State
- 17:3617:36, 22 March 2011 diff hist +427 m Rep:Mod:kga08module3wiki →Optimising the Chair Transition State for the Cope Rearrangement
- 17:2317:23, 22 March 2011 diff hist +283 m Rep:Mod:kga08module3wiki →Analysis of the Hexadiene Optimisations
- 17:1917:19, 22 March 2011 diff hist +223 m Rep:Mod:kga08module3wiki →Experimental
- 17:1517:15, 22 March 2011 diff hist +44 m Rep:Mod:kga08module3wiki →Outline
- 17:1117:11, 22 March 2011 diff hist +104 m Rep:Mod:kga08module3wiki →Outline