User contributions for Chc08
Appearance
25 March 2011
- 03:0103:01, 25 March 2011 diff hist +528 Talk:Mod:chchanmod3 →Activation Energy Calculations
- 02:3202:32, 25 March 2011 diff hist +209 Talk:Mod:chchanmod3 →Activation Energy Calculations
- 02:3102:31, 25 March 2011 diff hist +3 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 02:3002:30, 25 March 2011 diff hist 0 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 02:2902:29, 25 March 2011 diff hist 0 Talk:Mod:chchanmod3 →<u>Frozen Coordinate Approach</u>
- 02:2902:29, 25 March 2011 diff hist +219 Talk:Mod:chchanmod3 →Activation Energy Calculations
- 02:0702:07, 25 March 2011 diff hist +555 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 01:3701:37, 25 March 2011 diff hist +135 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 01:3001:30, 25 March 2011 diff hist +34 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 01:2501:25, 25 March 2011 diff hist +8 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 01:2401:24, 25 March 2011 diff hist +752 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 01:2401:24, 25 March 2011 diff hist 0 N File:Irc 4 animation chc08.gif No edit summary current
- 01:2301:23, 25 March 2011 diff hist 0 N File:Rms gradient norm along irc 4 chc08.jpg No edit summary current
- 01:2301:23, 25 March 2011 diff hist 0 N File:Total energy along irc 4 chc08.jpg No edit summary current
- 01:1901:19, 25 March 2011 diff hist 0 N File:Irc 3 animation chc08.gif No edit summary current
- 01:1901:19, 25 March 2011 diff hist 0 N File:Rms gradient norm along irc 3 chc08.jpg No edit summary current
- 01:1801:18, 25 March 2011 diff hist 0 N File:Total energy along irc 3 chc08.jpg No edit summary current
- 01:1501:15, 25 March 2011 diff hist 0 N File:Irc 2 animation chc08.gif No edit summary current
- 01:1401:14, 25 March 2011 diff hist 0 N File:Rms gradient norm along irc 2 chc08.jpg No edit summary current
- 01:1401:14, 25 March 2011 diff hist 0 N File:Total energy along irc 2 chc08.jpg No edit summary current
- 01:0601:06, 25 March 2011 diff hist +1,275 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 00:5700:57, 25 March 2011 diff hist −278 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 00:5100:51, 25 March 2011 diff hist +54 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 00:5000:50, 25 March 2011 diff hist +839 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 00:4900:49, 25 March 2011 diff hist 0 N File:Irc 1 animation chc08.gif No edit summary current
- 00:4600:46, 25 March 2011 diff hist 0 N File:Rms gradient norm along irc chc08.jpg No edit summary current
- 00:4600:46, 25 March 2011 diff hist 0 N File:Total energy along irc chc08.jpg No edit summary current
- 00:3700:37, 25 March 2011 diff hist 0 N File:Chair ts guess opt 2 irc chc08.mol No edit summary current
- 00:3000:30, 25 March 2011 diff hist +19 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 00:1500:15, 25 March 2011 diff hist +3 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
24 March 2011
- 23:3923:39, 24 March 2011 diff hist +656 Talk:Mod:chchanmod3 →Intrinsic Reaction Coordinate (IRC)
- 20:1020:10, 24 March 2011 diff hist −4 Talk:Mod:chchanmod3 →The Diels-Alder Cycloaddition
- 18:1118:11, 24 March 2011 diff hist +24 Talk:Mod:chchanmod3 →Simple Diels-Alder Cycloaddition (Ethylene and Butadiene)
- 18:1118:11, 24 March 2011 diff hist +206 Talk:Mod:chchanmod3 →Simple Diels-Alder Cycloaddition (Ethylene and Butadiene)
- 18:0718:07, 24 March 2011 diff hist +174 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 18:0018:00, 24 March 2011 diff hist +874 Talk:Mod:chchanmod3 →The Diels-Alder Cycloaddition
- 16:3316:33, 24 March 2011 diff hist +40 Talk:Mod:chchanmod3 →Introduction
- 16:0716:07, 24 March 2011 diff hist +309 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 16:0116:01, 24 March 2011 diff hist +237 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 15:5815:58, 24 March 2011 diff hist +56 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 15:5615:56, 24 March 2011 diff hist −74 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 15:5515:55, 24 March 2011 diff hist +1,051 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 15:5515:55, 24 March 2011 diff hist 0 N File:Boat ts qst2 opt and freq 2 chc08.mol No edit summary current
- 15:5415:54, 24 March 2011 diff hist 0 N File:Imaginary frequency vibration qst2 chc08.gif No edit summary current
- 15:4515:45, 24 March 2011 diff hist +51 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 12:5912:59, 24 March 2011 diff hist +2 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 12:5912:59, 24 March 2011 diff hist +162 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 12:5312:53, 24 March 2011 diff hist +12 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 12:5212:52, 24 March 2011 diff hist +561 Talk:Mod:chchanmod3 →Optimisation of Boat Transition State
- 12:5112:51, 24 March 2011 diff hist 0 N File:Reactant and product for qst2 2 chc08.jpg No edit summary current