User contributions for Mtn113

14 December 2015

• 14:4914:49, 14 December 2015 diff hist −82 Rep:Mod:Mtn113 →Optimisation via TS Berny
• 14:4814:48, 14 December 2015 diff hist +10 Rep:Mod:Mtn113 →Optimisation via TS Berny
• 14:4714:47, 14 December 2015 diff hist −6 Rep:Mod:Mtn113 →Optimisation via TS Berny
• 14:4214:42, 14 December 2015 diff hist +34 Rep:Mod:Mtn113 →Optimisation via TS Berny
• 14:4214:42, 14 December 2015 diff hist 0 N File:Mtn113 Chair ts berny.gif No edit summary
• 14:4014:40, 14 December 2015 diff hist −147 Rep:Mod:Mtn113 →Optimisation via TS Berny
• 14:3814:38, 14 December 2015 diff hist 0 N File:Ts berny freq.JPG No edit summary current
• 14:3514:35, 14 December 2015 diff hist −25 Rep:Mod:Mtn113 →Optimisation via TS Berny
• 14:3514:35, 14 December 2015 diff hist 0 N File:Mtn113 CHAIR TS OPT BERNY.LOG No edit summary current
• 14:3214:32, 14 December 2015 diff hist 0 N File:Mtn 113 chk Ts berny results.JPG No edit summary current
• 14:3214:32, 14 December 2015 diff hist +8 Rep:Mod:Mtn113 →Optimisation via TS Berny
• 14:3014:30, 14 December 2015 diff hist 0 N File:Mtn113 Ts berny results.JPG No edit summary current
• 14:2814:28, 14 December 2015 diff hist +5 Rep:Mod:Mtn113 →Diels Alder Reaction
• 14:1614:16, 14 December 2015 diff hist +32 Rep:Mod:Mtn113 →Comparing level of theory
• 14:1514:15, 14 December 2015 diff hist +49 Rep:Mod:Mtn113 →Frequency Analysis
• 14:1314:13, 14 December 2015 diff hist −3 Rep:Mod:Mtn113 →Frequency Analysis
• 14:0514:05, 14 December 2015 diff hist +69 Rep:Mod:Mtn113 →Frequency Analysis
• 14:0314:03, 14 December 2015 diff hist −13 Rep:Mod:Mtn113 →Frequency Analysis
• 14:0314:03, 14 December 2015 diff hist 0 N File:Mtn113 Thermochem anti2.JPG No edit summary current
• 14:0114:01, 14 December 2015 diff hist 0 N File:Mtn113 Ir anti2.JPG No edit summary current
• 13:5913:59, 14 December 2015 diff hist 0 N File:Mtn113 Freq anti2.JPG No edit summary current
• 13:5313:53, 14 December 2015 diff hist 0 N File:Mtn 113 Results anti2.JPG No edit summary current
• 13:5013:50, 14 December 2015 diff hist +37 Rep:Mod:Mtn113 →Frequency Analysis
• 13:4413:44, 14 December 2015 diff hist +37 Rep:Mod:Mtn113 →Comparing Level of Theory
• 13:4213:42, 14 December 2015 diff hist +68 Rep:Mod:Mtn113 →Comparing Level of Theory
• 13:4113:41, 14 December 2015 diff hist −1 Rep:Mod:Mtn113 →1,5-hexadiene (Gauche3 Conformation)
• 13:4113:41, 14 December 2015 diff hist +54 Rep:Mod:Mtn113 →Comparing Level of Theory
• 13:4113:41, 14 December 2015 diff hist 0 N File:Mtn113 Anti2 labelled.JPG No edit summary current
• 10:1910:19, 14 December 2015 diff hist +1,096 Rep:Mod:Mtn113 →Comparing level of theory
• 10:1110:11, 14 December 2015 diff hist +1 Rep:Mod:Mtn113 →Comparing level of theory
• 10:1110:11, 14 December 2015 diff hist −1 Rep:Mod:Mtn113 →Comparing level of theory
• 10:1010:10, 14 December 2015 diff hist −185 Rep:Mod:Mtn113 →Comparing level of theory
• 10:0810:08, 14 December 2015 diff hist −52 Rep:Mod:Mtn113 →Comparing level of theory
• 10:0710:07, 14 December 2015 diff hist +3,045 Rep:Mod:Mtn113 →Intrinsic Reaction Coordinate (IRC)
• 01:1401:14, 14 December 2015 diff hist −32 Rep:Mod:Mtn113 →Optimisation via frozen coordinates
• 01:1301:13, 14 December 2015 diff hist −17 Rep:Mod:Mtn113 →Comparison of the two methods
• 01:0701:07, 14 December 2015 diff hist +240 Rep:Mod:Mtn113 →Optimisation via QST2
• 01:0501:05, 14 December 2015 diff hist +2 Rep:Mod:Mtn113 →Comparison of the two methods
• 01:0401:04, 14 December 2015 diff hist +578 Rep:Mod:Mtn113 →Intrinsic Reaction Coordinate (IRC)
• 00:5400:54, 14 December 2015 diff hist +294 Rep:Mod:Mtn113 →Intrinsic Reaction Coordinate (IRC)
• 00:3000:30, 14 December 2015 diff hist −39 Rep:Mod:Mtn113 →Optimisation via QST2
• 00:2900:29, 14 December 2015 diff hist +1,027 Rep:Mod:Mtn113 →Optimisation via QST2

13 December 2015

• 22:4022:40, 13 December 2015 diff hist +13 Rep:Mod:Mtn113 →Optimisation via TS Berny
• 22:3822:38, 13 December 2015 diff hist +369 Rep:Mod:Mtn113 →Optimisation via QST2
• 19:5819:58, 13 December 2015 diff hist +387 Rep:Mod:Mtn113 →Comparison of the two methods
• 19:5619:56, 13 December 2015 diff hist +596 Rep:Mod:Mtn113 →Chair/ Boat Transition State Optimisation
• 18:5818:58, 13 December 2015 diff hist +1,511 Rep:Mod:Mtn113 →Optimisation via TS Berny
• 17:3517:35, 13 December 2015 diff hist +93 Rep:Mod:Mtn113 →Frequency Analysis
• 17:3517:35, 13 December 2015 diff hist +394 Rep:Mod:Mtn113 →Frequency Analysis
• 17:3217:32, 13 December 2015 diff hist +406 Rep:Mod:Mtn113 →Optimisation via TS Berny