User contributions for Js6313

11 March 2016

• 08:2008:20, 11 March 2016 diff hist 0 N File:Js6313Lattice primative.png No edit summary current
• 08:1808:18, 11 March 2016 diff hist 0 N File:Js6313Lattice cube.png No edit summary current
• 08:1108:11, 11 March 2016 diff hist +1 Rep:Mod:js6313 mgo No edit summary
• 08:0808:08, 11 March 2016 diff hist 0 Rep:Mod:js6313 mgo No edit summary
• 08:0708:07, 11 March 2016 diff hist −1 Rep:Mod:js6313 mgo →Introduction
• 08:0608:06, 11 March 2016 diff hist −3 Rep:Mod:js6313 mgo No edit summary
• 08:0608:06, 11 March 2016 diff hist +157 Rep:Mod:js6313 mgo No edit summary Tag: Visual edit: Switched
• 08:0108:01, 11 March 2016 diff hist +428 Rep:Mod:js6313 mgo →Using DLVisualize and GULP to Explore the Free Energy and Thermal Expansion of MgO Tag: Visual edit: Switched
• 07:5507:55, 11 March 2016 diff hist +137 Rep:Mod:js6313 mgo No edit summary Tag: Visual edit: Switched
• 07:4707:47, 11 March 2016 diff hist +1 Rep:Mod:js6313 mgo No edit summary
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• 07:4507:45, 11 March 2016 diff hist +8 Rep:Mod:js6313 mgo →Using DLVisualize and GULP to Explore the Free Energy and Thermal Expansion of MgO
• 07:4507:45, 11 March 2016 diff hist +234 Rep:Mod:js6313 mgo No edit summary Tag: Visual edit: Switched

10 March 2016

• 19:2019:20, 10 March 2016 diff hist +94 Rep:Mod:js6313 mgo No edit summary Tag: Visual edit
• 19:1819:18, 10 March 2016 diff hist 0 N File:Js6313 001 phonons 50npoints.png No edit summary current
• 19:1719:17, 10 March 2016 diff hist +755 Rep:Mod:js6313 mgo No edit summary Tag: Visual edit
• 19:0119:01, 10 March 2016 diff hist +168 Rep:Mod:js6313 mgo →Computing the Free Energy - The Harmonic Approxomation Tag: Visual edit
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• 16:0116:01, 10 March 2016 diff hist +81 Rep:Mod:js6313 mgo No edit summary Tag: Visual edit: Switched
• 15:5215:52, 10 March 2016 diff hist +67 Rep:Mod:js6313 mgo No edit summary

21 February 2016

• 17:1317:13, 21 February 2016 diff hist +1,079 N Rep:Mod:js6313 mgo Created page with "= Using DLVisualize and GULP to Explore the Free Energy and Thermal Expansion of MgO = === Introduction === In order to ascertain the === Computing the Free Energy - The Ha..." Tag: Visual edit: Switched

20 November 2015

• 11:5211:52, 20 November 2015 diff hist −5 Rep:Mod:JS6313 TS →Diers-Alder Cycloaddition Tag: Visual edit: Switched
• 11:5211:52, 20 November 2015 diff hist +418 Rep:Mod:JS6313 TS No edit summary Tag: Visual edit: Switched
• 11:5111:51, 20 November 2015 diff hist 0 N File:Opt da.PNG No edit summary current
• 10:5510:55, 20 November 2015 diff hist 0 N File:002 butadiene homolumo.PNG No edit summary current
• 10:5310:53, 20 November 2015 diff hist 0 N File:001 butadiene opt.PNG No edit summary current
• 10:5210:52, 20 November 2015 diff hist +164 Rep:Mod:JS6313 TS No edit summary
• 10:3510:35, 20 November 2015 diff hist +89 Rep:Mod:JS6313 TS No edit summary
• 10:3310:33, 20 November 2015 diff hist 0 N File:009 boat ts.PNG No edit summary current
• 10:0610:06, 20 November 2015 diff hist 0 Rep:Mod:JS6313 TS No edit summary
• 10:0610:06, 20 November 2015 diff hist +410 Rep:Mod:JS6313 TS No edit summary
• 10:0610:06, 20 November 2015 diff hist 0 N File:007 anti2.PNG No edit summary current
• 10:0410:04, 20 November 2015 diff hist 0 N File:005 anti4.PNG No edit summary current
• 10:0310:03, 20 November 2015 diff hist 0 N File:003 gauche2.PNG No edit summary current
• 10:0010:00, 20 November 2015 diff hist 0 N File:002 react anti hf.PNG No edit summary current
• 09:5509:55, 20 November 2015 diff hist +417 Rep:Mod:JS6313 TS No edit summary Tag: Visual edit: Switched
• 09:4109:41, 20 November 2015 diff hist 0 N File:006 chair guess deriv.PNG No edit summary current
• 09:0209:02, 20 November 2015 diff hist +4 Rep:Mod:JS6313 TS No edit summary
• 09:0209:02, 20 November 2015 diff hist +1 Rep:Mod:JS6313 TS No edit summary
• 09:0009:00, 20 November 2015 diff hist +2 Rep:Mod:JS6313 TS No edit summary
• 09:0009:00, 20 November 2015 diff hist +325 Rep:Mod:JS6313 TS No edit summary Tag: Visual edit: Switched
• 08:5808:58, 20 November 2015 diff hist 0 N File:002 chair guess.PNG No edit summary current

19 November 2015

• 13:1613:16, 19 November 2015 diff hist 0 Rep:Mod:JS6313 TS No edit summary
• 13:1513:15, 19 November 2015 diff hist +48 Rep:Mod:JS6313 TS No edit summary
• 13:1113:11, 19 November 2015 diff hist +30 N File:001 react anti.PNG 1,5-hexadiene, anti periplanar current

17 November 2015

• 15:1715:17, 17 November 2015 diff hist +526 Rep:Mod:JS6313 TS No edit summary Tag: Visual edit: Switched
• 14:4614:46, 17 November 2015 diff hist +175 Rep:Mod:JS6313 TS No edit summary Tag: Visual edit: Switched

10 November 2015

• 14:5014:50, 10 November 2015 diff hist +411 Rep:Mod:JS6313 TS →Introduction Tag: Visual edit: Switched

9 November 2015

• 16:4016:40, 9 November 2015 diff hist +1,148 N Rep:Mod:JS6313 TS Created page with "== Introduction == [SAMPLE] ==== Units ==== In this article, energies are given in atomic units of energy, a.u,; 1 a.u. is equivalent to 1 hartree which is defined as ''R''<s..." Tag: Visual edit
• 16:3716:37, 9 November 2015 diff hist +66 N File:JS6313 Gauche3 chk.png Lowest energy conformation for 1,5-hexadiene; Gauche3 in tutorial. current