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User contributions for Shp13

Results for Shp13 talk block log uploads logs

A user with 432 edits. Account created on 15 October 2015.

10:0310:03, 22 October 2015 diff hist 0 N File:REACT CISBUTADIENE 631G.mol No edit summary current
10:0210:02, 22 October 2015 diff hist +64 Rep:Mod:steph280 →Optimising the Transition State Structure
09:5709:57, 22 October 2015 diff hist −8 Rep:Mod:steph280 →Optimising the Transition State Structure
09:5509:55, 22 October 2015 diff hist +333 Rep:Mod:steph280 →Optimising the Transition State Structure
09:5409:54, 22 October 2015 diff hist 0 N File:TS IR 631G.png No edit summary current
09:5409:54, 22 October 2015 diff hist 0 N File:TS 631G TS berny imafreq.gif No edit summary current
09:5109:51, 22 October 2015 diff hist 0 N File:TS GUESS 631G BERNY.mol No edit summary current
09:5009:50, 22 October 2015 diff hist +112 Rep:Mod:steph280 →Optimising the Transition State Structure
09:4309:43, 22 October 2015 diff hist +5 Rep:Mod:steph280 →Optimising the Transition State Structure
09:4109:41, 22 October 2015 diff hist −1 Rep:Mod:steph280 →Optimising the Transition State Structure
09:4009:40, 22 October 2015 diff hist +1 Rep:Mod:steph280 →Optimising the Transition State Structure
09:3909:39, 22 October 2015 diff hist −1 Rep:Mod:steph280 →Optimising the Transition State Structure
09:3809:38, 22 October 2015 diff hist +163 Rep:Mod:steph280 →Optimising the Transition State Structure
09:3709:37, 22 October 2015 diff hist 0 N File:TS guess Bernymethod try3.mol No edit summary current
09:3609:36, 22 October 2015 diff hist 0 N File:TS AM1 imaginaryfreq anim.gif No edit summary current
09:3509:35, 22 October 2015 diff hist 0 N File:TS IR AM1.png No edit summary current
09:3109:31, 22 October 2015 diff hist +84 Rep:Mod:steph280 →Optimising the Transition State Structure
09:2909:29, 22 October 2015 diff hist +466 Rep:Mod:steph280 →Optimising Reactant Cis Butadiene
09:2009:20, 22 October 2015 diff hist +448 Rep:Mod:steph280 →Optimising Reactant Cis Butadiene
09:1709:17, 22 October 2015 diff hist 0 N File:LUMO cisbutadiene reactant.png No edit summary current
09:1709:17, 22 October 2015 diff hist 0 N File:HOMO cisbutadiene reactant.png No edit summary current
09:0609:06, 22 October 2015 diff hist +6 Rep:Mod:steph280 →Optimising Reactant Cis Butadiene
09:0609:06, 22 October 2015 diff hist 0 N File:React cisbutadiene AMI.mol No edit summary current
09:0409:04, 22 October 2015 diff hist +342 Rep:Mod:steph280 →Optimising Reactant Cis Butadiene
08:5808:58, 22 October 2015 diff hist +223 Rep:Mod:steph280 →Diels Alder Cycloaddition
08:3608:36, 22 October 2015 diff hist +216 Rep:Mod:steph280 →Diels Alder Cycloaddition
08:3108:31, 22 October 2015 diff hist +231 Rep:Mod:steph280 →Diels Alder Cycloaddition
08:2608:26, 22 October 2015 diff hist 0 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
08:2508:25, 22 October 2015 diff hist +99 Rep:Mod:steph280 →Diels Alder Cycloaddition
08:1808:18, 22 October 2015 diff hist −40 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
08:1708:17, 22 October 2015 diff hist +110 Rep:Mod:steph280 →Intrinsic Reaction Coordinate Method
08:1308:13, 22 October 2015 diff hist +1,842 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
07:4307:43, 22 October 2015 diff hist +471 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
07:4207:42, 22 October 2015 diff hist +132 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis

19:1919:19, 21 October 2015 diff hist 0 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
19:1919:19, 21 October 2015 diff hist +162 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
19:1519:15, 21 October 2015 diff hist +58 Rep:Mod:steph280 →Intrinsic Reaction Coordinate Method
19:1119:11, 21 October 2015 diff hist +294 Rep:Mod:steph280 →Intrinsic Reaction Coordinate Method
19:0819:08, 21 October 2015 diff hist +1 Rep:Mod:steph280 →Optimising Transition State Structures
19:0619:06, 21 October 2015 diff hist −99 Rep:Mod:steph280 →Optimising Transition State Structures
19:0519:05, 21 October 2015 diff hist +1 Rep:Mod:steph280 →Intrinsic Reaction Coordinate Method
19:0519:05, 21 October 2015 diff hist 0 N File:IRC results.png No edit summary current
19:0219:02, 21 October 2015 diff hist +892 Rep:Mod:steph280 →Optimising the "Boat" Transition State Structure at HF/3-21G using TS QST2 Method
18:2918:29, 21 October 2015 diff hist +102 Rep:Mod:steph280 →Optimising the "Boat" Transition State Structure at HF/3-21G using TS QST2 Method
18:2718:27, 21 October 2015 diff hist −91 Rep:Mod:steph280 →Optimising the "Boat" Transition State Structure at HF/3-21G using TS QST2 Method
18:2518:25, 21 October 2015 diff hist 0 N File:TS QST2 imaginary freq.gif No edit summary current
18:2318:23, 21 October 2015 diff hist −165 Rep:Mod:steph280 →Optimising the "Boat" Transition State Structure at HF/3-21G using TS QST2 Method
18:2218:22, 21 October 2015 diff hist +728 Rep:Mod:steph280 →Optimising Transition State Structures
18:2118:21, 21 October 2015 diff hist 0 N File:Output qst2.mol No edit summary current
18:1918:19, 21 October 2015 diff hist 0 N File:Input react &prod QST2.png No edit summary current

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