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User contributions for Jn307

Results for Jn307 talk block log uploads logs

A user with 591 edits. Account created on 16 November 2009.

03:4203:42, 17 December 2009 diff hist +390 Rep:Jn307Module3:ThisIsIt →QST2 method
03:3803:38, 17 December 2009 diff hist +290 Rep:Jn307Module3:ThisIsIt →QST2 method
03:3103:31, 17 December 2009 diff hist +18 Rep:Jn307Module3:ThisIsIt →Opt=ModRedundant
03:2403:24, 17 December 2009 diff hist +386 Rep:Jn307Module3:ThisIsIt →Opt=ModRedundant
02:2002:20, 17 December 2009 diff hist +171 Rep:Jn307Module3:ThisIsIt →(e)the Ci anti2 conformation of 1,5-hexadiene.
02:1602:16, 17 December 2009 diff hist +256 Rep:Jn307Module3:ThisIsIt →(c) Lowest Optimised Structure
02:1202:12, 17 December 2009 diff hist +137 Rep:Jn307Module3:ThisIsIt →1,5-hexadiene with a "gauche" linkage
02:0802:08, 17 December 2009 diff hist −233 m Rep:Jn307Module3:ThisIsIt →Anaylsis of the Boat and Chair Transition Stages
01:5301:53, 17 December 2009 diff hist +180 Rep:Jn307Module3:ThisIsIt →Anaylsis of the Boat and Chair Transition Stages
01:5101:51, 17 December 2009 diff hist +1 Rep:Jn307Module3:ThisIsIt →(e)the Ci anti2 conformation of 1,5-hexadiene.
01:4901:49, 17 December 2009 diff hist +65 Rep:Jn307Module3:ThisIsIt →TS (Berny)
01:4801:48, 17 December 2009 diff hist 0 N File:JN307 IRS CHAIR LAST STAGE.JPG No edit summary current
01:4801:48, 17 December 2009 diff hist 0 N File:JN307 BOAT IRS LAST STAGE.JPG No edit summary current
01:4801:48, 17 December 2009 diff hist 0 N File:JN307 BERNY.JPG No edit summary current

22:1722:17, 16 December 2009 diff hist +593 Rep:Jn307Module3:ThisIsIt →Anaylsis of the Boat and Chair Transition Stages
19:5919:59, 16 December 2009 diff hist +372 Rep:Jn307Module3:ThisIsIt →ethylene+cis butadiene transition structure
19:5619:56, 16 December 2009 diff hist +226 Rep:Jn307Module3:ThisIsIt →Anaylsis of the Boat and Chair Transition Stages
19:4919:49, 16 December 2009 diff hist −8,398 Rep:Jn307Module3:ThisIsIt No edit summary
17:4117:41, 16 December 2009 diff hist +7 Rep:Jn307Module3:ThisIsIt →ethylene+cis butadiene transition structure
17:4117:41, 16 December 2009 diff hist +71 Rep:Jn307Module3:ThisIsIt →ethylene+cis butadiene transition structure
17:4017:40, 16 December 2009 diff hist 0 N File:Jn307 chair like transitioon stage butadiene.JPG No edit summary current
17:3817:38, 16 December 2009 diff hist +185 Rep:Jn307Module3:ThisIsIt →ethylene+cis butadiene transition structure
17:3117:31, 16 December 2009 diff hist −1,256 Rep:Jn307Module3:ThisIsIt →ethylene+cis butadiene transition structure
17:3017:30, 16 December 2009 diff hist +1,515 Rep:Jn307Module3:ThisIsIt →ethylene+cis butadiene transition structure
17:2017:20, 16 December 2009 diff hist 0 N File:JN307 CIS BUTADIENE TS LUMO.JPG No edit summary current
17:2017:20, 16 December 2009 diff hist 0 N File:JN307 CIS BUTADIENE TS HUMO.JPG No edit summary current
17:1017:10, 16 December 2009 diff hist +49 Rep:Jn307Module3:ThisIsIt →Diel-Alder Cycloaddition
17:0917:09, 16 December 2009 diff hist −628 Rep:Jn307Module3:ThisIsIt →Diel-Alder Cycloaddition
17:0817:08, 16 December 2009 diff hist +630 Rep:Jn307Module3:ThisIsIt →Diel-Alder Cycloaddition
17:0817:08, 16 December 2009 diff hist +127 Rep:Jn307Module3:ThisIsIt →Diel-Alder Cycloaddition
17:0517:05, 16 December 2009 diff hist 0 N File:JN307 CIS BUTADIENE LUMO.JPG No edit summary current
17:0517:05, 16 December 2009 diff hist 0 N File:JN307 CIS BUTADIENE HUMO.JPG No edit summary current
17:0217:02, 16 December 2009 diff hist +419 Rep:Jn307Module3:ThisIsIt →Diel-Alder Cycloaddition
16:3116:31, 16 December 2009 diff hist +7 Rep:Jn307Module3:ThisIsIt →(e) Draw the Ci anti2 conformation of 1,5-hexadiene (unless you have already located it). Optimize it at the HF/3-21G level of theory and make sure it has Ci symmetry. Compare your final energy to the one given in the table.
16:3116:31, 16 December 2009 diff hist +202 Rep:Jn307Module3:ThisIsIt →(e) Draw the Ci anti2 conformation of 1,5-hexadiene (unless you have already located it). Optimize it at the HF/3-21G level of theory and make sure it has Ci symmetry. Compare your final energy to the one given in the table.
16:2916:29, 16 December 2009 diff hist 0 N File:Jn307 ir spectrum of anti2 conformation.JPG No edit summary current
16:2416:24, 16 December 2009 diff hist +2 Rep:Jn307Module3:ThisIsIt →(e) Draw the Ci anti2 conformation of 1,5-hexadiene (unless you have already located it). Optimize it at the HF/3-21G level of theory and make sure it has Ci symmetry. Compare your final energy to the one given in the table.
16:2416:24, 16 December 2009 diff hist +219 Rep:Jn307Module3:ThisIsIt →(e) Draw the Ci anti2 conformation of 1,5-hexadiene (unless you have already located it). Optimize it at the HF/3-21G level of theory and make sure it has Ci symmetry. Compare your final energy to the one given in the table.
16:2216:22, 16 December 2009 diff hist 0 N File:Jn307anti2 opt2.JPG No edit summary current
16:2216:22, 16 December 2009 diff hist 0 N File:Jn307anti2 opt1.JPG No edit summary current
16:1716:17, 16 December 2009 diff hist +63 Rep:Jn307Module3:ThisIsIt /* (c) Normally, calculated activation energies and enthalpies use the lowest energy conformation of a reactant molecule as a reference. Based on your results from above, try to predict what the lowest energy conformation of 1,5-hexadiene might be. T
16:1616:16, 16 December 2009 diff hist 0 N File:Jn307 gauche3 opt1.JPG No edit summary current
16:1616:16, 16 December 2009 diff hist +408 Rep:Jn307Module3:ThisIsIt /* (c) Normally, calculated activation energies and enthalpies use the lowest energy conformation of a reactant molecule as a reference. Based on your results from above, try to predict what the lowest energy conformation of 1,5-hexadiene might be. T

22:5422:54, 15 December 2009 diff hist +127 Rep:Jn307Module3:ThisIsIt No edit summary
02:3002:30, 15 December 2009 diff hist +5,105 Rep:Jn307Module3:ThisIsIt →Anaylsis of the Boat and Chair Transition Stages
02:2702:27, 15 December 2009 diff hist +617 Rep:Jn307Module3:ThisIsIt No edit summary
02:2102:21, 15 December 2009 diff hist +6 Rep:Jn307Module3:ThisIsIt →1,5-hexadiene with an "anti" linkage
02:2102:21, 15 December 2009 diff hist +151 Rep:Jn307Module3:ThisIsIt →Optimizing the Reactants and Products
02:1802:18, 15 December 2009 diff hist 0 N File:Jn307 mod3 1d.JPG No edit summary current
02:1802:18, 15 December 2009 diff hist 0 N File:Jn307 failed piece.JPG No edit summary current

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