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User contributions for Rp2513

Results for Rp2513 talk block log uploads logs

A user with 211 edits. Account created on 22 January 2016.

12:1412:14, 24 January 2016 diff hist 0 N File:Chair reopt summary RP.png No edit summary current
12:1012:10, 24 January 2016 diff hist +733 Rep:Mod:RP2513 →Activation Energy
12:0912:09, 24 January 2016 diff hist 0 N File:CB TS BOAT TS BERNY.LOG No edit summary current
12:0812:08, 24 January 2016 diff hist 0 N File:Boat reopt summary RP.png No edit summary current
12:0112:01, 24 January 2016 diff hist +303 Rep:Mod:RP2513 →Intrinsic Reaction Coordinate Analysis
11:5511:55, 24 January 2016 diff hist +643 Rep:Mod:RP2513 →Intrinsic Reaction Coordinate Analysis
11:4811:48, 24 January 2016 diff hist 0 N File:IRC 2 RP.png No edit summary current
11:4311:43, 24 January 2016 diff hist +740 Rep:Mod:RP2513 →Optimisation of Boat Transition Structure
11:4311:43, 24 January 2016 diff hist 0 N File:IRC 1 RP.png No edit summary current
11:3311:33, 24 January 2016 diff hist +6 Rep:Mod:RP2513 →Using the QST2 Method
11:3011:30, 24 January 2016 diff hist +756 Rep:Mod:RP2513 No edit summary
11:2911:29, 24 January 2016 diff hist 0 N File:CB TS QST2 CHANGED ANGLES(5).LOG No edit summary current
11:2711:27, 24 January 2016 diff hist 0 N File:RP qts2 summary.png No edit summary current
11:2611:26, 24 January 2016 diff hist +8 Rep:Mod:RP2513 →Using the QST2 Method
11:1811:18, 24 January 2016 diff hist +2,259 Rep:Mod:RP2513 →Optimisation using Frozen-Coordinate Method
11:1811:18, 24 January 2016 diff hist 0 N File:Qts2 final productreactant RP.png No edit summary current
11:1611:16, 24 January 2016 diff hist 0 N File:Qts2 fail structure.png No edit summary current
11:1411:14, 24 January 2016 diff hist 0 N File:Qts2 failure productreactant RP.png No edit summary current
10:2610:26, 24 January 2016 diff hist +1,416 Rep:Mod:RP2513 →Optimisation of Boat and Chair Transition Structures
10:2310:23, 24 January 2016 diff hist 0 N File:CB FREEZE DAY2 ATTEMPT3 BERNY.LOG No edit summary current
10:2210:22, 24 January 2016 diff hist 0 N File:RP Frozen coord.png No edit summary current
10:1510:15, 24 January 2016 diff hist −26 Rep:Mod:RP2513 →Optimisation of Chair Transition Structure
10:1510:15, 24 January 2016 diff hist +303 Rep:Mod:RP2513 →Optimisation of Chair Transition Structure
10:0710:07, 24 January 2016 diff hist +1,111 Rep:Mod:RP2513 →Optimisation of Boat and Chair Transition Structures
10:0310:03, 24 January 2016 diff hist 0 N File:CB TS BERNY(1).LOG No edit summary current
10:0310:03, 24 January 2016 diff hist 0 N File:RP TS(Berny)guess.png No edit summary current
09:4909:49, 24 January 2016 diff hist +612 Rep:Mod:RP2513 →Optimisation of Allyl fragment
09:4809:48, 24 January 2016 diff hist 0 N File:RP-CB ALLYL FRAGMENT 3-21G (1).LOG No edit summary current
09:4709:47, 24 January 2016 diff hist 0 N File:RPallyl fragment summary.png No edit summary current
09:4109:41, 24 January 2016 diff hist +696 Rep:Mod:RP2513 No edit summary
09:2809:28, 24 January 2016 diff hist +1,342 Rep:Mod:RP2513 No edit summary

18:1418:14, 22 January 2016 diff hist +100 Rep:Mod:RP2513 →Introduction
18:0318:03, 22 January 2016 diff hist −1 Rep:Mod:RP2513 →Comparison of Hartree-Fock and Density Function Theory
18:0018:00, 22 January 2016 diff hist +1,230 Rep:Mod:RP2513 No edit summary
17:5417:54, 22 January 2016 diff hist +53 Rep:Mod:RP2513 →Frequency Analysis
17:5117:51, 22 January 2016 diff hist +163 Rep:Mod:RP2513 →Frequency Analysis
17:4717:47, 22 January 2016 diff hist +1,726 Rep:Mod:RP2513 →Frequency Analysis
17:4417:44, 22 January 2016 diff hist 0 N File:RP-anti2-IR.png No edit summary current
17:4217:42, 22 January 2016 diff hist 0 N File:RPanti2-freq.png No edit summary current
17:1117:11, 22 January 2016 diff hist +27 Rep:Mod:RP2513 →Reoptimisation of anti2 conformer of 1,5-hexadiene at B3LYP/6-31G(d) level of theory
17:0217:02, 22 January 2016 diff hist +871 Rep:Mod:RP2513 →Reoptimisation of anti2 conformer of 1,5-hexadiene at B3LYP/6-31G(d) level of theory
16:2616:26, 22 January 2016 diff hist +1,168 Rep:Mod:RP2513 →Reoptimisation of anti2 conformer of 1,5-hexadiene at B3LYP/6-31G(d) level of theory
16:1816:18, 22 January 2016 diff hist 0 N File:RP-numbered-anti2.png No edit summary current
15:4715:47, 22 January 2016 diff hist +815 Rep:Mod:RP2513 →Introduction
15:4715:47, 22 January 2016 diff hist 0 N File:RPanti-2-6-31g.png No edit summary current
15:4615:46, 22 January 2016 diff hist 0 N File:RP-REACTION ANTI (1).LOG No edit summary current
15:3115:31, 22 January 2016 diff hist +492 Rep:Mod:RP2513 →Background
15:3015:30, 22 January 2016 diff hist 0 N File:RPgauche3MO.png No edit summary current
15:0515:05, 22 January 2016 diff hist 0 Rep:Mod:RP2513 →Background
15:0115:01, 22 January 2016 diff hist +573 Rep:Mod:RP2513 →Introduction

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