User contributions for Shp13

23 October 2015

• 01:5301:53, 23 October 2015 diff hist +581 Rep:Mod:steph280 →Vibrational Frequency and MO Orbital Analysis
• 01:3501:35, 23 October 2015 diff hist +432 Rep:Mod:steph280 →Vibrational Frequency and MO Orbital Analysis
• 01:3101:31, 23 October 2015 diff hist +185 Rep:Mod:steph280 →Optimising the Transition State Structure
• 01:3001:30, 23 October 2015 diff hist 0 N File:TS GUESS BERNYMETHOD TRY3.LOG No edit summary current
• 01:3001:30, 23 October 2015 diff hist 0 N File:TS GUESS 631G BERNY.LOG No edit summary current
• 01:2801:28, 23 October 2015 diff hist +190 Rep:Mod:steph280 →Optimising Reactant Cis Butadiene
• 01:2801:28, 23 October 2015 diff hist 0 N File:REACT CISBUTADIENE 631G.LOG No edit summary current
• 01:2801:28, 23 October 2015 diff hist 0 N File:REACT CISBUTADIENE AMI.LOG No edit summary current
• 01:2401:24, 23 October 2015 diff hist 0 Rep:Mod:steph280 →Diels Alder Cycloaddition
• 01:1901:19, 23 October 2015 diff hist +477 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
• 01:0801:08, 23 October 2015 diff hist +24 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
• 01:0601:06, 23 October 2015 diff hist +97 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
• 01:0501:05, 23 October 2015 diff hist +116 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
• 01:0401:04, 23 October 2015 diff hist +275 Rep:Mod:steph280 →Reoptimisation and Activation Energy Analysis
• 01:0001:00, 23 October 2015 diff hist 0 N File:TS CHAIR OPT+FREQ 631G.LOG No edit summary current
• 01:0001:00, 23 October 2015 diff hist 0 N File:TS BOAT 631G OPT+FREQ.LOG No edit summary current
• 00:5800:58, 23 October 2015 diff hist +3 Rep:Mod:steph280 →Intrinsic Reaction Coordinate Method
• 00:5600:56, 23 October 2015 diff hist +20 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
• 00:5300:53, 23 October 2015 diff hist +95 Rep:Mod:steph280 →Intrinsic Reaction Coordinate Method
• 00:5200:52, 23 October 2015 diff hist 0 N File:TS IRC 321G 100.LOG No edit summary current
• 00:4800:48, 23 October 2015 diff hist +98 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using the Frozen Coordinate Method
• 00:4500:45, 23 October 2015 diff hist +82 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using the Frozen Coordinate Method
• 00:4300:43, 23 October 2015 diff hist 0 N File:TS BOND) FREEZE DERIVATIVE BERNY.LOG No edit summary current
• 00:4200:42, 23 October 2015 diff hist +1 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
• 00:4100:41, 23 October 2015 diff hist +63 Rep:Mod:steph280 →Optimising the "Chair" Transition State Structure at HF/3-21G using TS Berny Method
• 00:4000:40, 23 October 2015 diff hist 0 N File:TS GUESS 321G.LOG No edit summary current
• 00:3600:36, 23 October 2015 diff hist +64 Rep:Mod:steph280 →Optimising Allyl Fragments
• 00:3600:36, 23 October 2015 diff hist 0 N File:TS ALLYL 321G.LOG No edit summary current
• 00:3000:30, 23 October 2015 diff hist 0 Rep:Mod:steph280 →Frequency Analysis of Anti1 Conformer
• 00:2800:28, 23 October 2015 diff hist +1 Rep:Mod:steph280 →Comparing Levels of Theory
• 00:2800:28, 23 October 2015 diff hist −1 Rep:Mod:steph280 →Comparing Levels of Theory
• 00:2700:27, 23 October 2015 diff hist −1 Rep:Mod:steph280 →Comparing Levels of Theory
• 00:2200:22, 23 October 2015 diff hist +5 Rep:Mod:steph280 →Comparing Levels of Theory
• 00:1800:18, 23 October 2015 diff hist −50 Rep:Mod:steph280 →Comparing Levels of Theory
• 00:1600:16, 23 October 2015 diff hist −57 Rep:Mod:steph280 →The Cope Rearrangement
• 00:1500:15, 23 October 2015 diff hist +80 Rep:Mod:steph280 →The Cope Rearrangement
• 00:0500:05, 23 October 2015 diff hist +11 Rep:Mod:steph280 →Optimisation of 1,5-hexadiene Conformers
• 00:0200:02, 23 October 2015 diff hist +10 Rep:Mod:steph280 →The Cope Rearrangement

22 October 2015

• 23:5823:58, 22 October 2015 diff hist +1 Rep:Mod:steph280 →Computational Methods
• 23:5723:57, 22 October 2015 diff hist +9 Rep:Mod:steph280 →Introduction
• 23:5523:55, 22 October 2015 diff hist +153 Rep:Mod:steph280 →Introduction
• 23:4923:49, 22 October 2015 diff hist +9 Rep:Mod:steph280 →Computational Methods
• 23:3623:36, 22 October 2015 diff hist +47 Rep:Mod:steph280 →Computational Methods
• 23:3123:31, 22 October 2015 diff hist +47 N Template:DOI: 10.1021/ja01080a054 Created page with "http://pubs.acs.org/doi/pdf/10.1021/ja01080a054" current
• 23:2623:26, 22 October 2015 diff hist −34 Rep:Mod:steph280 →Introduction
• 23:2023:20, 22 October 2015 diff hist −25 Rep:Mod:steph280 →Introduction
• 23:1623:16, 22 October 2015 diff hist +3 Rep:Mod:steph280 →Introduction
• 23:1623:16, 22 October 2015 diff hist −26 Rep:Mod:steph280 No edit summary
• 23:1023:10, 22 October 2015 diff hist +17 Rep:Mod:steph280 →Anti1 Conformer of 1,5-hexadiene
• 21:5621:56, 22 October 2015 diff hist +1 Rep:Mod:steph280 →Frequency Analysis of Anti1 Conformer