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25 November 2015
- 01:5501:55, 25 November 2015 diff hist +168 Rep:Mod:Sh1994 No edit summary
- 01:4901:49, 25 November 2015 diff hist +7 Rep:Mod:Sh1994 No edit summary
- 01:4601:46, 25 November 2015 diff hist +7 Rep:Mod:Sh1994 No edit summary
- 01:4501:45, 25 November 2015 diff hist +227 Rep:Mod:Sh1994 No edit summary
- 01:3501:35, 25 November 2015 diff hist +679 Rep:Mod:Sh1994 No edit summary
- 01:3301:33, 25 November 2015 diff hist +6 Rep:Mod:Sh1994 No edit summary Tag: Visual edit
- 01:0201:02, 25 November 2015 diff hist +933 Rep:Mod:Sh1994 No edit summary Tag: Visual edit
- 00:4700:47, 25 November 2015 diff hist +1 Rep:Mod:Sh1994 No edit summary Tag: Visual edit
- 00:4600:46, 25 November 2015 diff hist +538 Rep:Mod:Sh1994 →Introduction to molecular dynamics simulation Tag: Visual edit
- 00:3600:36, 25 November 2015 diff hist 0 N File:SH Maxima Error Against Time.PNG No edit summary current
- 00:2900:29, 25 November 2015 diff hist +162 Rep:Mod:Sh1994 No edit summary Tag: Visual edit
- 00:2600:26, 25 November 2015 diff hist 0 N File:SH Error against Time.PNG No edit summary current
- 00:2200:22, 25 November 2015 diff hist +114 Rep:Mod:Sh1994 →Introduction to molecular dynamics simulation Tag: Visual edit
- 00:2000:20, 25 November 2015 diff hist 0 N File:SH Energy against Time.PNG No edit summary
- 00:1000:10, 25 November 2015 diff hist +235 Rep:Mod:Sh1994 No edit summary Tag: Visual edit
- 00:0600:06, 25 November 2015 diff hist 0 N File:SH Analytical position against time.PNG No edit summary current
24 November 2015
- 23:4323:43, 24 November 2015 diff hist +106 Rep:Mod:Sh1994 No edit summary
- 23:4223:42, 24 November 2015 diff hist +804 N Rep:Mod:Sh1994 Created page with "== '''<big>Introduction to molecular dynamics simulation</big>''' == === Task 1 === '''Open the file HO.xls. In it, the velocity-Verlet algorithm is used to model the behavio..." Tag: Visual edit
23 October 2015
- 11:0111:01, 23 October 2015 diff hist +218 Rep:Mod:Sh1226 →Reference
- 10:5910:59, 23 October 2015 diff hist +509 Rep:Mod:Sh1226 No edit summary
- 10:5510:55, 23 October 2015 diff hist +149 Rep:Mod:Sh1226 →Diels-Alder reaction between cyclohexa-1,3-diene and maleic anhydride
- 10:5310:53, 23 October 2015 diff hist −2 Rep:Mod:Sh1226 →Diels-Alder reaction between cyclohexa-1,3-diene and maleic anhydride
- 10:4910:49, 23 October 2015 diff hist +44 Rep:Mod:Sh1226 →Intrinsic Reaction Coordinate
- 10:4610:46, 23 October 2015 diff hist +9 Rep:Mod:Sh1226 →Appendix, Log Files
- 10:4410:44, 23 October 2015 diff hist +688 Rep:Mod:Sh1226 →Appendix Log files
- 10:4210:42, 23 October 2015 diff hist 0 N File:TS-ENDO-BERNY-631G 2 IRC.LOG No edit summary current
- 10:4110:41, 23 October 2015 diff hist 0 N File:Qst2 opt am1 irc100 foward only.log No edit summary current
- 10:3810:38, 23 October 2015 diff hist 0 N File:GUESSED TS FREEZE DERIVATIVE3 IRC100.LOG No edit summary current
- 10:3610:36, 23 October 2015 diff hist 0 N File:QST2 OPT 631g berny.log No edit summary current
- 10:3510:35, 23 October 2015 diff hist 0 N File:TS-ENDO-BERNY-631G 2.LOG No edit summary current
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- 10:2810:28, 23 October 2015 diff hist +405 Rep:Mod:Sh1226 No edit summary
- 10:2610:26, 23 October 2015 diff hist 0 N File:Shuang cisbutadiene IRC 200.LOG No edit summary current
- 10:2310:23, 23 October 2015 diff hist 0 N File:Shuang Ts berny 631G.log No edit summary current
- 10:2010:20, 23 October 2015 diff hist 0 N File:Shuang GUESSED TS2 FREEZE DERIVATIVE IRC100.LOG No edit summary current
- 10:1610:16, 23 October 2015 diff hist 0 N File:Shuang Guessed TS2 Freeze Derivative.LOG No edit summary current
- 10:0310:03, 23 October 2015 diff hist −1 Rep:Mod:Sh1226 →Appendix, Log Files
- 10:0110:01, 23 October 2015 diff hist +48 Rep:Mod:Sh1226 →Appendix, Log Files
- 09:5909:59, 23 October 2015 diff hist +799 Rep:Mod:Sh1226 No edit summary
- 09:4809:48, 23 October 2015 diff hist 0 N File:Shuang CHAIR TS GUESS B IRC 50.LOG No edit summary current
- 09:4609:46, 23 October 2015 diff hist 0 N File:ShuangheREACT ANTI2 QST2 OPT+FREQ E PART2.LOG No edit summary current
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- 09:4309:43, 23 October 2015 diff hist 0 N File:Shuanghe CHAIR TS GUESS D.LOG No edit summary current
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- 09:3709:37, 23 October 2015 diff hist 0 N File:Shuang REACT ANTI CI.LOG No edit summary current
- 09:3609:36, 23 October 2015 diff hist 0 N File:Shuang REACT GAUCHE.LOG No edit summary current