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User contributions for Rcb07

Results for Rcb07 talk block log uploads logs

A user with 993 edits. Account created on 23 February 2010.

19:1819:18, 15 March 2010 diff hist −5 Rep:Mod:0509rcba →Optimising Chair and Boat Transition State Structures
19:1719:17, 15 March 2010 diff hist +558 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Chair Transition State
19:0619:06, 15 March 2010 diff hist +89 Rep:Mod:0509rcba →Conclusion to Different Approaches
19:0319:03, 15 March 2010 diff hist +854 Rep:Mod:0509rcba →Approach 3: Calculating Force Constants for Every Step
18:5718:57, 15 March 2010 diff hist 0 N File:Chair IRC app3 rcb07.mol No edit summary current
18:5618:56, 15 March 2010 diff hist 0 N File:Chair IRC app3 results rcb07.jpg No edit summary current
18:5618:56, 15 March 2010 diff hist 0 N File:Chair IRC app3 rcb07.jpg No edit summary current
18:5618:56, 15 March 2010 diff hist +360 Rep:Mod:0509rcba →Approach 3: Calculating Force Constants for Every Step
18:5118:51, 15 March 2010 diff hist +216 Rep:Mod:0509rcba →Approach 3: Calculating Force Constants for Every Step
18:4918:49, 15 March 2010 diff hist +381 Rep:Mod:0509rcba →Approach 2: Increasing Number of Iterations
18:4518:45, 15 March 2010 diff hist 0 N File:Chair IRC app2 rcb07.mol No edit summary current
18:4518:45, 15 March 2010 diff hist 0 N File:Chair IRC App2 results rcb07.jpg No edit summary current
18:4418:44, 15 March 2010 diff hist 0 N File:Chair IRC App2 rcb07.jpg No edit summary current
18:4418:44, 15 March 2010 diff hist +632 Rep:Mod:0509rcba →Approach 2: Increasing Number of Iterations
18:3418:34, 15 March 2010 diff hist +220 Rep:Mod:0509rcba →Approach 1: Minimising Last Structure of IRC
18:3018:30, 15 March 2010 diff hist 0 N File:Chair IRC results app1 rcb07.jpg No edit summary current
18:3018:30, 15 March 2010 diff hist 0 N File:Chair IRC app1 rcb07.mol No edit summary current
18:3018:30, 15 March 2010 diff hist 0 N File:Chair IRC app1 rcb07.jpg No edit summary current
18:2918:29, 15 March 2010 diff hist +933 Rep:Mod:0509rcba →Approach 1: Minimising Last Structure of IRC
17:2917:29, 15 March 2010 diff hist +13 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Chair Transition State
17:2817:28, 15 March 2010 diff hist +595 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Chair Transition State
17:2217:22, 15 March 2010 diff hist 0 N File:Chair IRC1 results rcb07.jpg No edit summary current
17:2117:21, 15 March 2010 diff hist 0 N File:Chair IRC1 rcb07.mol No edit summary current
17:2117:21, 15 March 2010 diff hist 0 N File:Chair IRC1 rcb07.jpg No edit summary current
17:2117:21, 15 March 2010 diff hist +549 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Chair and Boat Transition States
17:1417:14, 15 March 2010 diff hist +77 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Chair and Boat Transition States
17:0217:02, 15 March 2010 diff hist +863 Rep:Mod:0509rcba →Calculating the Intrinsic Reaction Coordinate (IRC) for Chair and Boat Transition States
16:4416:44, 15 March 2010 diff hist +484 Rep:Mod:0509rcba →Optimising Boat Transistion State Using the Hartree-Fock and QST2 Methods
16:3916:39, 15 March 2010 diff hist 0 N File:Boat vib ts rcb07.jpg No edit summary current
16:3416:34, 15 March 2010 diff hist 0 N File:Boat results ts2 rcb07.jpg No edit summary current
16:3316:33, 15 March 2010 diff hist 0 N File:Boat struct rcb07.mol No edit summary current
16:3316:33, 15 March 2010 diff hist 0 N File:Boat struct rcb07.jpg No edit summary current
16:3016:30, 15 March 2010 diff hist +1,965 Rep:Mod:0509rcba →Optimising Boat Transistion State Using the Hartree-Fock and QST2 Methods
16:2216:22, 15 March 2010 diff hist +76 Rep:Mod:0509rcba →Optimising Boat Transistion State Using the Hartree-Fock and QST2 Methods
16:2016:20, 15 March 2010 diff hist +90 Rep:Mod:0509rcba →Optimising Boat Transistion State Using the Hartree-Fock and QST2 Methods
16:1516:15, 15 March 2010 diff hist 0 N File:Boat manual rcb07.jpg No edit summary current
16:1516:15, 15 March 2010 diff hist +83 Rep:Mod:0509rcba →Optimising Boat Transistion State Using the Hartree-Fock and QST2 Methods
16:0716:07, 15 March 2010 diff hist +648 Rep:Mod:0509rcba →Optimising Boat Transistion State Using the Hartree-Fock and QST2 Methods
16:0016:00, 15 March 2010 diff hist +160 Rep:Mod:0509rcba →Optimising Boat Transistion State Using the Hartree-Fock and QST2 Methods
15:5315:53, 15 March 2010 diff hist 0 N File:Boat numbers rcb07.jpg No edit summary current
15:5315:53, 15 March 2010 diff hist +211 Rep:Mod:0509rcba →Optimising Boat Transistion State Using the Hartree-Fock and QST2 Methods
15:4315:43, 15 March 2010 diff hist −1 Rep:Mod:0509rcba →Optimising Chair Transistion State Using the Hartree-Fock and QST2 Methods
15:4015:40, 15 March 2010 diff hist +284 Rep:Mod:0509rcba →Optimising Chair Transistion State Using the Hartree-Fock and Frozen Coordinate Methods
15:3615:36, 15 March 2010 diff hist 0 N File:Chair opt1 results rcb07.jpg No edit summary current
15:3515:35, 15 March 2010 diff hist 0 N File:Chair opt3 results rcb07.jpg No edit summary current
15:3515:35, 15 March 2010 diff hist +501 Rep:Mod:0509rcba →Optimising Chair Transistion State Using the Hartree-Fock and Frozen Coordinate Methods
14:5914:59, 15 March 2010 diff hist +470 Rep:Mod:0509rcba →Optimising Chair Transistion State Using the Hartree-Fock and Frozen Coordinate Method
14:5414:54, 15 March 2010 diff hist +1,400 Rep:Mod:0509rcba →Optimising Chair Transistion State Using the Hartree-Fock and TS Berny Method
14:5314:53, 15 March 2010 diff hist +326 Rep:Mod:0509rcba →Optimising Chair Transistion State Using the Hartree-Fock and Frozen Coordinate Method
14:3714:37, 15 March 2010 diff hist +314 Rep:Mod:0509rcba →Optimising Chair Transistion State Using the Hartree-Fock and Frozen Coordinate Method

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