User contributions for Kl1713
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23 October 2015
- 00:5000:50, 23 October 2015 diff hist 0 N File:OPTFREQ QST2 TSGUESS AM1SEMI.LOG No edit summary current
- 00:4900:49, 23 October 2015 diff hist +30 Rep:Mod:kl1713TS →Optimization of Endo product
- 00:4900:49, 23 October 2015 diff hist 0 N File:AM1SEMI OPTFREQ ENDO PRODUCT4.LOG No edit summary current
- 00:4800:48, 23 October 2015 diff hist +72 Rep:Mod:kl1713TS →Optimization of Exo product
- 00:4800:48, 23 October 2015 diff hist 0 N File:OPT EXO AM1SEMI.LOG No edit summary current
- 00:4700:47, 23 October 2015 diff hist +31 Rep:Mod:kl1713TS →Optimization of Maleic Anyhydride
- 00:4700:47, 23 October 2015 diff hist 0 N File:Optfreq maleicanhydride semiam1.log No edit summary current
- 00:4600:46, 23 October 2015 diff hist +25 Rep:Mod:kl1713TS →Optimization of cyclohexa-1,3-diene
- 00:4600:46, 23 October 2015 diff hist 0 N File:Optfreq cyclohexa am1semi.log No edit summary current
- 00:4500:45, 23 October 2015 diff hist +24 Rep:Mod:kl1713TS →Optimizing to transition state for ethene + cis butadiene
- 00:4400:44, 23 October 2015 diff hist 0 N File:IRC TS SEMIAM1.LOG No edit summary current
- 00:4400:44, 23 October 2015 diff hist +29 Rep:Mod:kl1713TS →Optimizing to transition state for ethene + cis butadiene
- 00:4400:44, 23 October 2015 diff hist 0 N File:DA TSBERNY ONCE SEMIAM1 GUESS.LOG No edit summary current
- 00:4300:43, 23 October 2015 diff hist +18 Rep:Mod:kl1713TS →Optimizing ethene and computing the transition structure
- 00:4300:43, 23 October 2015 diff hist 0 N File:OPT ETHENE AM1SEMI.LOG No edit summary current
- 00:4200:42, 23 October 2015 diff hist +24 Rep:Mod:kl1713TS →Optimization of cis butadiene + ethene
- 00:4200:42, 23 October 2015 diff hist 0 N File:CISBUTADIENE SEMIAM1 OPT.LOG No edit summary current
- 00:4200:42, 23 October 2015 diff hist +28 Rep:Mod:kl1713TS →Intrinsic Reaction Co-ordinate (IRC)
- 00:4100:41, 23 October 2015 diff hist 0 N File:CHAIR GUESS TS CI IRC HF321G.LOG No edit summary current
- 00:4100:41, 23 October 2015 diff hist +37 Rep:Mod:kl1713TS →Optimizing the boat transition structure
- 00:4100:41, 23 October 2015 diff hist 0 N File:BOAT HF321G TS QST2 ANTI2 NEWGEOMETRY.LOG No edit summary current
- 00:4000:40, 23 October 2015 diff hist +36 Rep:Mod:kl1713TS →Optimizing to transition state using the Redundant Co-ordinate Editor (frozen co-ordinates)
- 00:4000:40, 23 October 2015 diff hist 0 N File:CHAIR GUESS TS DERIVATIVE CI OPT HF321G.LOG No edit summary current
- 00:3900:39, 23 October 2015 diff hist +32 Rep:Mod:kl1713TS →Optimizing to transition state using HF/3-21G (TS Berny)
- 00:3900:39, 23 October 2015 diff hist 0 N File:CHAIR GUESS TS CI OPTFREQ HF321G.LOG No edit summary current
- 00:3800:38, 23 October 2015 diff hist +25 Rep:Mod:kl1713TS →Optimizing the allyl fragment
- 00:3800:38, 23 October 2015 diff hist 0 N File:ALLYL FRAGMENT HF321G OPT.LOG No edit summary current
- 00:3800:38, 23 October 2015 diff hist +22 Rep:Mod:kl1713TS →Frequency Analysis
- 00:3700:37, 23 October 2015 diff hist 0 N File:FREQ ANTI2 B3YLP631G(D).LOG No edit summary current
- 00:3600:36, 23 October 2015 diff hist −25 Rep:Mod:kl1713TS →Reoptimization of anti2 conformer
- 00:3500:35, 23 October 2015 diff hist 0 N File:Anti2 reopt.LOG No edit summary current
- 00:2200:22, 23 October 2015 diff hist +364 Rep:Mod:kl1713TS No edit summary
- 00:1400:14, 23 October 2015 diff hist +1 Rep:Mod:kl1713TS No edit summary Tag: Visual edit: Switched
- 00:0500:05, 23 October 2015 diff hist +1,130 Rep:Mod:kl1713TS →Secondary Orbital Overlap Effect Tag: Visual edit: Switched
22 October 2015
- 22:0022:00, 22 October 2015 diff hist +633 Rep:Mod:kl1713TS No edit summary
- 21:5721:57, 22 October 2015 diff hist 0 N File:Secondary orbital overlap LUMO+2 for exo.png No edit summary current
- 21:5321:53, 22 October 2015 diff hist 0 N File:Secondary orbital overlap LUMO+2.png No edit summary current
- 21:4821:48, 22 October 2015 diff hist −2 Rep:Mod:kl1713TS →Optimizing to the Endo transition state
- 21:4321:43, 22 October 2015 diff hist +1,372 Rep:Mod:kl1713TS →Secondary Orbital Overlap Effect Tag: Visual edit: Switched
- 21:1421:14, 22 October 2015 diff hist +360 Rep:Mod:kl1713TS →Comparing the exo and endo transition structures
- 21:1121:11, 22 October 2015 diff hist +4 Rep:Mod:kl1713TS →Comparing the exo and endo transition structures
- 20:5420:54, 22 October 2015 diff hist +40 Rep:Mod:kl1713TS →Comparing the exo and endo transition structures
- 20:4420:44, 22 October 2015 diff hist +2,799 Rep:Mod:kl1713TS No edit summary
- 20:1920:19, 22 October 2015 diff hist +349 Rep:Mod:kl1713TS No edit summary
- 20:1520:15, 22 October 2015 diff hist +204 Rep:Mod:kl1713TS No edit summary Tag: Visual edit: Switched
- 20:0720:07, 22 October 2015 diff hist +1,233 Rep:Mod:kl1713TS No edit summary
- 19:1819:18, 22 October 2015 diff hist +628 Rep:Mod:kl1713TS No edit summary
- 19:0819:08, 22 October 2015 diff hist 0 N File:Labels for exo ts.png No edit summary current
- 19:0819:08, 22 October 2015 diff hist 0 N File:Labels for endo ts.png No edit summary current
- 19:0519:05, 22 October 2015 diff hist +2,678 Rep:Mod:kl1713TS No edit summary