User contributions for Xs3015
Appearance
28 January 2018
- 22:0022:00, 28 January 2018 diff hist −331 Rep:Mrd Xs3015 TS →IRC Analysis
- 21:5721:57, 28 January 2018 diff hist 0 N File:IRC cheletropic DE3 xs3015.gif No edit summary current
- 21:5721:57, 28 January 2018 diff hist 0 N File:IRC exo DE3 xs3015.gif No edit summary current
- 21:5721:57, 28 January 2018 diff hist 0 N File:IRC endo DE3 xs3015.gif No edit summary current
- 21:4621:46, 28 January 2018 diff hist +7 Rep:Mrd Xs3015 TS →Exercise 3: Diels-Alder vs Cheletropic
- 21:2121:21, 28 January 2018 diff hist +1,283 Rep:Mrd Xs3015 TS →Activation barrier and reaction energy
- 19:0119:01, 28 January 2018 diff hist +1,660 Rep:Mrd Xs3015 TS →MO analysis
- 18:2918:29, 28 January 2018 diff hist +239 Rep:Mrd Xs3015 TS →Optimisation of substrates and frequency calculation
- 18:2618:26, 28 January 2018 diff hist +437 Rep:Mrd Xs3015 TS →Exercise 2: Reaction of Cyclohexadiene and 1,3-Dioxole
- 18:1318:13, 28 January 2018 diff hist +27 Rep:Mrd Xs3015 TS →Vibrational Analysis
- 18:0918:09, 28 January 2018 diff hist +95 Rep:Mrd Xs3015 TS →Bond Length Analysis
- 17:5717:57, 28 January 2018 diff hist +1,075 Rep:Mrd Xs3015 TS →Bond Length Analysis
- 16:5816:58, 28 January 2018 diff hist +14 Rep:Mrd Xs3015 TS →Molecular Orbital (MO) Analysis
- 16:5716:57, 28 January 2018 diff hist +21 Rep:Mrd Xs3015 TS →Molecular Orbital (MO) Analysis
- 16:5616:56, 28 January 2018 diff hist 0 Rep:Mrd Xs3015 TS →Molecular Orbital (MO) Analysis
- 16:5516:55, 28 January 2018 diff hist +1,541 Rep:Mrd Xs3015 TS →Molecular Orbital (MO) Analysis
- 16:0716:07, 28 January 2018 diff hist +747 Rep:Mrd Xs3015 TS →Optimisation of TS and results
- 15:2215:22, 28 January 2018 diff hist +140 Rep:Mrd Xs3015 TS →Reaction Profile
- 15:2115:21, 28 January 2018 diff hist +84 Rep:Mrd Xs3015 TS →Reaction barrier and reaction energy
- 15:2015:20, 28 January 2018 diff hist 0 N File:DE3 reaction profile xs3015.png No edit summary
- 14:0514:05, 28 January 2018 diff hist +3 Rep:Mrd Xs3015 TS →IRC Analysis
- 14:0414:04, 28 January 2018 diff hist 0 N File:IRC exo DE3 xs3015.png No edit summary
- 13:5213:52, 28 January 2018 diff hist −18 Rep:Mrd Xs3015 TS →Reaction barrier and reaction energy
- 13:1913:19, 28 January 2018 diff hist 0 Rep:Mrd Xs3015 TS →Reaction barrier and reaction energy
- 12:3312:33, 28 January 2018 diff hist +1,372 Rep:Mrd Xs3015 TS →IRC Analysis
26 January 2018
- 23:5523:55, 26 January 2018 diff hist +2,186 Rep:Mrd Xs3015 TS →Optimisation results
- 23:5223:52, 26 January 2018 diff hist 0 N File:Vibration cheletropic DE3 xs3015.gif No edit summary current
- 23:5223:52, 26 January 2018 diff hist 0 N File:TS cheletropic DE3 IRC xs3015.png No edit summary current
- 23:5123:51, 26 January 2018 diff hist 0 File:Vibration endo DE3 xs3015.gif Xs3015 uploaded a new version of File:Vibration endo DE3 xs3015.gif current
- 23:5123:51, 26 January 2018 diff hist 0 N File:TS endo DE3 IRC xs3015.png No edit summary current
- 23:4723:47, 26 January 2018 diff hist 0 N File:Vibration exo DE3 xs3015.gif No edit summary current
- 23:3223:32, 26 January 2018 diff hist 0 N File:Vibration endo DE3 xs3015.gif No edit summary
- 23:3023:30, 26 January 2018 diff hist 0 N File:TS PM6 CHELETROPIC IRC xs3015.LOG No edit summary
- 23:2923:29, 26 January 2018 diff hist 0 File:TS PM6 CHELETROPIC xs3015.LOG Xs3015 uploaded a new version of File:TS PM6 CHELETROPIC xs3015.LOG current
- 23:2823:28, 26 January 2018 diff hist 0 N File:TS-PM6-IRC exo xs3015.LOG No edit summary
- 23:2823:28, 26 January 2018 diff hist 0 N File:TS PM6 exo xs3015.LOG No edit summary current
- 22:5622:56, 26 January 2018 diff hist −2 Rep:Mrd Xs3015 TS →Optimisation results
- 22:5122:51, 26 January 2018 diff hist +660 Rep:Mrd Xs3015 TS →Exercise 3: Diels-Alder vs Cheletropic
- 22:4522:45, 26 January 2018 diff hist 0 N File:TS PM6 CHELETROPIC xs3015.LOG No edit summary
- 22:4322:43, 26 January 2018 diff hist 0 N File:TS PM6 exo DE3 xs3015.LOG No edit summary current
- 22:4222:42, 26 January 2018 diff hist 0 N File:TS ENDO PM6 XS3015 DE3.LOG No edit summary current
- 22:2222:22, 26 January 2018 diff hist +497 Rep:Mrd Xs3015 TS →Exercise 3: Diels-Alder vs Cheletropic
- 22:2122:21, 26 January 2018 diff hist 0 N File:DE3 scheme xs3015.png No edit summary
- 17:3317:33, 26 January 2018 diff hist +665 Rep:Mrd Xs3015 TS →Activation barrier and reaction energy
- 17:2917:29, 26 January 2018 diff hist 0 Rep:Mrd Xs3015 TS →Activation barrier and reaction energy
- 17:2117:21, 26 January 2018 diff hist 0 Rep:Mrd Xs3015 TS →Exercise 2: Reaction of Cyclohexadiene and 1,3-Dioxole
- 17:2117:21, 26 January 2018 diff hist 0 N File:DE2 scheme xs3015.png No edit summary current
- 17:0717:07, 26 January 2018 diff hist −12 Rep:Mrd Xs3015 TS →Activation barrier and reaction energy
- 16:4216:42, 26 January 2018 diff hist 0 File:TS exo frequency xs3015.png Xs3015 uploaded a new version of File:TS exo frequency xs3015.png current
- 16:3916:39, 26 January 2018 diff hist 0 Rep:Mrd Xs3015 TS →Optimisation of substrates and frequency calculation