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User contributions for Ard16

Results for Ard16 talk block log uploads logs

A user with 471 edits. Account created on 6 March 2017.

15:1015:10, 11 May 2018 diff hist +9 Rep:MOD:Ard16MO lab →Frequency Table
15:0815:08, 11 May 2018 diff hist +189 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.)
15:0815:08, 11 May 2018 diff hist +15 Rep:MOD:Ard16MO lab →IR Spectrum Tag: Visual edit
15:0815:08, 11 May 2018 diff hist −189 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.)
15:0715:07, 11 May 2018 diff hist +17 Rep:MOD:Ard16MO lab →Frequency Table
15:0615:06, 11 May 2018 diff hist +75 Rep:MOD:Ard16MO lab No edit summary
15:0415:04, 11 May 2018 diff hist 0 N File:Ard16 mo report spectrumBH3.PNG No edit summary current
15:0115:01, 11 May 2018 diff hist +187 Rep:MOD:Ard16MO lab →General MO Calculations
14:5914:59, 11 May 2018 diff hist +372 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.) Tag: Visual edit
14:4314:43, 11 May 2018 diff hist −185 Rep:MOD:Ard16MO lab No edit summary
14:4014:40, 11 May 2018 diff hist +32 Rep:MOD:Ard16MO lab →Molecular Orbital Lab- Arun Dolan
14:3814:38, 11 May 2018 diff hist +178 Rep:MOD:Ard16MO lab No edit summary
14:3214:32, 11 May 2018 diff hist 0 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.)
14:3114:31, 11 May 2018 diff hist +144 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.)
14:2914:29, 11 May 2018 diff hist −15 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.)
14:2914:29, 11 May 2018 diff hist +109 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.) Tag: Visual edit
14:2614:26, 11 May 2018 diff hist −9 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.) Tag: Visual edit
14:2514:25, 11 May 2018 diff hist 0 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.)
14:2514:25, 11 May 2018 diff hist −85 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.)
14:2314:23, 11 May 2018 diff hist 0 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.)
14:2314:23, 11 May 2018 diff hist −7 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.)
14:2214:22, 11 May 2018 diff hist −5 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.) Tag: Visual edit
14:2214:22, 11 May 2018 diff hist 0 N File:ARD16 BH3 FREQ.LOG No edit summary current
14:2014:20, 11 May 2018 diff hist 0 Rep:MOD:Ard16MO lab →B3LYP/6-31G level(d.p.) Tag: Visual edit
14:1714:17, 11 May 2018 diff hist +544 Rep:MOD:Ard16MO lab →General MO Calculations Tag: Visual edit
14:1714:17, 11 May 2018 diff hist 0 N File:Ard16 mo report-bh3 optm table.PNG No edit summary current
14:1114:11, 11 May 2018 diff hist 0 N File:Ard16 mo report-bh3 freq table.PNG No edit summary current
11:4911:49, 11 May 2018 diff hist +97 N Rep:MOD:Ard16MO lab Created page with "== Molecular Orbital Lab- Arun Dolan == === General MO Calculations === === Project Section ===" Tag: Visual edit

16:4016:40, 4 May 2018 diff hist +682 MRD:ARD16 →Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens Tag: Visual edit
16:3316:33, 4 May 2018 diff hist +6 MRD:ARD16 →Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction, and how this is influenced by the position of the transition state Tag: Visual edit
16:3116:31, 4 May 2018 diff hist +266 MRD:ARD16 →Interpreting the above results Tag: Visual edit
16:2416:24, 4 May 2018 diff hist +122 MRD:ARD16 →Reaction Dynamics Tag: Visual edit
16:1916:19, 4 May 2018 diff hist 0 N File:Ard16 energy.png No edit summary current
16:1416:14, 4 May 2018 diff hist +1,560 MRD:ARD16 →H + H-F Tag: Visual edit
15:5315:53, 4 May 2018 diff hist +10 MRD:ARD16 →Calculating Transition state Geometry Tag: Visual edit
15:5015:50, 4 May 2018 diff hist −104 MRD:ARD16 →Transition state theory Tag: Visual edit
15:2815:28, 4 May 2018 diff hist +274 MRD:ARD16 →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. How could this be confirmed experimentally? Tag: Visual edit
15:2215:22, 4 May 2018 diff hist +178 MRD:ARD16 →Report the activation energy for both reactions. Tag: Visual edit
15:2015:20, 4 May 2018 diff hist −2 MRD:ARD16 →Report the activation energy for both reactions. Tag: Visual edit
15:2015:20, 4 May 2018 diff hist 0 File:Ard16 F+H-H.png Ard16 uploaded a new version of File:Ard16 F+H-H.png current
15:1515:15, 4 May 2018 diff hist +34 MRD:ARD16 →Report the activation energy for both reactions. Tag: Visual edit
15:1015:10, 4 May 2018 diff hist 0 N File:Ard16 H+HF.png No edit summary current
14:5514:55, 4 May 2018 diff hist +1,643 MRD:ARD16 →EXERCISE 2: F - H - H system Tag: Visual edit
14:5414:54, 4 May 2018 diff hist 0 File:Ard16 F+H-H.png Ard16 uploaded a new version of File:Ard16 F+H-H.png
14:5014:50, 4 May 2018 diff hist 0 N File:Ard16 F+H-H.png No edit summary
14:2614:26, 4 May 2018 diff hist 0 N File:Ard16 theTS.png No edit summary current
14:1014:10, 4 May 2018 diff hist 0 N File:Ard16 findingTHEts.png No edit summary current
13:4313:43, 4 May 2018 diff hist +1 MRD:ARD16 →Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens Tag: Visual edit
13:4113:41, 4 May 2018 diff hist +4 MRD:ARD16 →Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens Tag: Visual edit
13:4013:40, 4 May 2018 diff hist −10 MRD:ARD16 →Alternate Calculations Tag: Visual edit

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