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User contributions for Ft311

Results for Ft311 talk block log uploads logs

A user with 1,469 edits. Account created on 17 October 2011.

19:1019:10, 11 October 2013 diff hist −414 Rep:Mod:fred123 →"Item" table
19:1019:10, 11 October 2013 diff hist +767 Rep:Mod:fred123 →Summary table
19:0819:08, 11 October 2013 diff hist −2,063 Rep:Mod:fred123 →Summary table
19:0619:06, 11 October 2013 diff hist +2,510 Rep:Mod:fred123 →NBO Analysis of NH3
19:0219:02, 11 October 2013 diff hist +16 Rep:Mod:fred123 →NBO Analysis of NH3
19:0219:02, 11 October 2013 diff hist 0 File:NH3 energy 631G DP checkpoint.fchk uploaded a new version of "File:NH3 energy 631G DP checkpoint.fchk" current
18:5818:58, 11 October 2013 diff hist −8 Rep:Mod:fred123 →NBO Analysis of NH3
18:5718:57, 11 October 2013 diff hist 0 N File:NH3 energy 631G DP.log No edit summary current
18:5718:57, 11 October 2013 diff hist +2 Rep:Mod:fred123 →NBO Analysis of NH3
18:5618:56, 11 October 2013 diff hist +219 Rep:Mod:fred123 →NBO Analysis of NH3
18:5518:55, 11 October 2013 diff hist 0 N File:NH3 energy 631G DP checkpoint.fchk No edit summary
18:5218:52, 11 October 2013 diff hist 0 N File:NH3 FREQUENCY 631G DP.LOG No edit summary current
18:5018:50, 11 October 2013 diff hist +1 Rep:Mod:fred123 →NBO Analysis of NH3
18:4818:48, 11 October 2013 diff hist −1 Rep:Mod:fred123 →NBO Analysis of NH3
18:4718:47, 11 October 2013 diff hist +132 Rep:Mod:fred123 →What does this say about the accuracy and usefulness of qualitative MO theory?
18:4518:45, 11 October 2013 diff hist 0 N File:NH3 OPTIMISATION 631G DP.LOG No edit summary current
18:4118:41, 11 October 2013 diff hist +66 Rep:Mod:fred123 →Are there any significant differences between the real and LCAO MOs?
15:1615:16, 11 October 2013 diff hist +212 Rep:Mod:fred123 →Are there any significant differences between the real and LCAO MOs?
15:1315:13, 11 October 2013 diff hist +296 Rep:Mod:fred123 →Molecular orbitals of BH3</SUB?
15:0715:07, 11 October 2013 diff hist 0 File:BH3 MO DIAGRAM.PNG uploaded a new version of "File:BH3 MO DIAGRAM.PNG"
15:0515:05, 11 October 2013 diff hist 0 File:BH3 MO DIAGRAM.PNG uploaded a new version of "File:BH3 MO DIAGRAM.PNG"
15:0115:01, 11 October 2013 diff hist 0 File:BH3 MO DIAGRAM.PNG uploaded a new version of "File:BH3 MO DIAGRAM.PNG"
14:5614:56, 11 October 2013 diff hist +69 Rep:Mod:fred123 →What do the "Low frequencies" represent?
14:5514:55, 11 October 2013 diff hist 0 N File:BH3 MO DIAGRAM.PNG No edit summary
14:5214:52, 11 October 2013 diff hist 0 N File:Bh3 MO diagram chemdraw.cdx No edit summary current
13:2813:28, 11 October 2013 diff hist −1 Rep:Mod:fred123 →Has there been a reordering of modes?
13:2613:26, 11 October 2013 diff hist +57 Rep:Mod:fred123 →"Item" table
13:2513:25, 11 October 2013 diff hist +35 Rep:Mod:fred123 →"Item" table
13:2313:23, 11 October 2013 diff hist +3 Rep:Mod:fred123 →"Item" table
13:2313:23, 11 October 2013 diff hist +93 Rep:Mod:fred123 →"Item" Table
13:1713:17, 11 October 2013 diff hist +1 Rep:Mod:fred123 →What do the "Low frequencies" represent?
13:1713:17, 11 October 2013 diff hist +1 Rep:Mod:fred123 →What do the "Low frequencies" represent?
13:1613:16, 11 October 2013 diff hist −28 Rep:Mod:fred123 →What do the "Low frequencies" represent?
13:1513:15, 11 October 2013 diff hist +83 Rep:Mod:fred123 →What do the "Low frequencies" represent?
13:1313:13, 11 October 2013 diff hist +45 Rep:Mod:fred123 →What do the "Low frequencies" represent?
13:0813:08, 11 October 2013 diff hist +300 Rep:Mod:fred123 →What is the purpose of carrying out a frequency analysis?
12:5112:51, 11 October 2013 diff hist +405 Rep:Mod:fred123 →Why must you use the same method and basis set for both the optimisation and frequency analysis calculations?
12:4612:46, 11 October 2013 diff hist +367 Rep:Mod:fred123 →For both spectra two modes lie fairly closely together, the A2" and E' modes and then the other two modes also lie fairly close together, the A1' and E' modes, but higher in energy. Why is this?
12:2612:26, 11 October 2013 diff hist +195 Rep:Mod:fred123 →For both spectra two modes lie fairly closely together, the A2" and E' modes and then the other two modes also lie fairly close together, the A1' and E' modes, but higher in energy. Why is this?
12:2112:21, 11 October 2013 diff hist +8 Rep:Mod:fred123 →For both spectra two modes lie fairly closely together, the A2" and E' modes and then the other two modes also lie fairly close together, the A1' and E' modes, but higher in energy. Why is this?
12:2112:21, 11 October 2013 diff hist +212 Rep:Mod:fred123 →For both spectra two modes lie fairly closely together, the A2" and E' modes and then the other two modes also lie fairly close together, the A1' and E' modes, but higher in energy. Why is this?
12:1312:13, 11 October 2013 diff hist +33 Rep:Mod:fred123 →Vibration table
12:1212:12, 11 October 2013 diff hist +2 Rep:Mod:fred123 →For both spectra two modes lie fairly closely together, the A2" and E' modes and then the other two modes also lie fairly close together, the A1' and E' modes, but higher in energy. Why is this?
12:0812:08, 11 October 2013 diff hist +337 Rep:Mod:fred123 →Has there been a reordering of modes?
11:2011:20, 11 October 2013 diff hist +285 Rep:Mod:fred123 →What does the large difference in the value of the frequencies for BH3 compared to GaBr3 indicate?
11:1011:10, 11 October 2013 diff hist +1 Rep:Mod:fred123 →What does the large difference in the value of the frequencies for BH3 compared to GaBr3 indicate?
11:0911:09, 11 October 2013 diff hist −50 Rep:Mod:fred123 →What does the large difference in the value of the frequencies for BH3 compared to GaBr3 indicate?
11:0911:09, 11 October 2013 diff hist +51 Rep:Mod:fred123 →What does the large difference in the value of the frequencies for BH3 compared to GaBr3 indicate?
11:0911:09, 11 October 2013 diff hist +2 Rep:Mod:fred123 →What does the large difference in the value of the frequencies for BH3 compared to GaBr3 indicate?
11:0811:08, 11 October 2013 diff hist −2 Rep:Mod:fred123 →What does the large difference in the value of the frequencies for BH3 compared to GaBr3 indicate?

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