User contributions for Aw2415
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18 February 2016
- 14:4214:42, 18 February 2016 diff hist +7 Rep:Mod:AW2415report →Gallery
- 14:4114:41, 18 February 2016 diff hist −36 Rep:Mod:AW2415report →Gallery
- 14:4114:41, 18 February 2016 diff hist −35 Rep:Mod:AW2415report →Gallery
- 14:4014:40, 18 February 2016 diff hist +12 Rep:Mod:AW2415report →Molecular Orbital Gallery
- 14:3814:38, 18 February 2016 diff hist −34 Rep:Mod:AW2415report →Molecular Orbital Gallery
- 14:3814:38, 18 February 2016 diff hist +598 Rep:Mod:AW2415report No edit summary
- 14:1714:17, 18 February 2016 diff hist +8 Rep:Mod:AW2415report No edit summary
15 February 2016
- 19:0219:02, 15 February 2016 diff hist −44 Rep:Mod:AW2415report →Molecular Orbital Gallery
- 19:0019:00, 15 February 2016 diff hist +205 Rep:Mod:AW2415report No edit summary
- 19:0019:00, 15 February 2016 diff hist 0 N File:AW2415-N2 (molecular orbital-sigma).png No edit summary current
- 18:5918:59, 15 February 2016 diff hist 0 N File:AW2415-N2 (molecular orbital-pi).png No edit summary current
- 18:4718:47, 15 February 2016 diff hist +1 Rep:Mod:AW2415report →Reaction Energies
- 18:4718:47, 15 February 2016 diff hist +108 Rep:Mod:AW2415report →Reaction Energies
- 18:4518:45, 15 February 2016 diff hist +1 Rep:Mod:AW2415report →Reaction Energies
- 18:4518:45, 15 February 2016 diff hist −1 Rep:Mod:AW2415report →Reaction Energies
- 18:4218:42, 15 February 2016 diff hist +5 Rep:Mod:AW2415report →Reaction Energies
- 18:4218:42, 15 February 2016 diff hist −880 Rep:Mod:AW2415report No edit summary
- 18:3118:31, 15 February 2016 diff hist −1,171 Rep:Mod:AW2415report No edit summary
- 18:2818:28, 15 February 2016 diff hist −6 Rep:Mod:AW2415report →Vibrations
- 18:2818:28, 15 February 2016 diff hist −6 Rep:Mod:AW2415report →Vibrations
- 18:2718:27, 15 February 2016 diff hist 0 Rep:Mod:AW2415report →Molecule: H2
- 18:2618:26, 15 February 2016 diff hist +3,376 Rep:Mod:AW2415report No edit summary
- 18:2618:26, 15 February 2016 diff hist 0 N File:AW2415-N2 (vibrational analysis).png No edit summary current
- 18:2518:25, 15 February 2016 diff hist 0 N File:AW2415-N2 (OPTIMISED).LOG No edit summary current
- 18:2418:24, 15 February 2016 diff hist 0 N File:AW2415-N2 (optimised).png No edit summary current
- 18:1718:17, 15 February 2016 diff hist +8 Rep:Mod:AW2415report No edit summary
- 18:1718:17, 15 February 2016 diff hist −6 Rep:Mod:AW2415report →Vibrations
- 18:1618:16, 15 February 2016 diff hist +1,174 Rep:Mod:AW2415report No edit summary
- 18:1418:14, 15 February 2016 diff hist 0 N File:AW2415-H2 (vibrational analysis).png No edit summary current
- 18:1218:12, 15 February 2016 diff hist 0 N File:AW2415-H2 (optimised).png No edit summary current
- 18:1018:10, 15 February 2016 diff hist 0 N File:AW2415 H2 (FIRST OPTIMISATION).LOG No edit summary current
- 17:5217:52, 15 February 2016 diff hist +302 Rep:Mod:AW2415report No edit summary
- 17:4917:49, 15 February 2016 diff hist 0 N File:AW2415-NH3 - 2 (Charge analysis).png No edit summary current
- 17:4617:46, 15 February 2016 diff hist +96 Rep:Mod:AW2415report →Questions
- 17:4417:44, 15 February 2016 diff hist +115 Rep:Mod:AW2415report No edit summary
- 17:4317:43, 15 February 2016 diff hist +273 Rep:Mod:AW2415report No edit summary
- 17:3717:37, 15 February 2016 diff hist +33 Rep:Mod:AW2415report →Molecule: NH3
- 17:3617:36, 15 February 2016 diff hist +52 Rep:Mod:AW2415report →Molecule: NH3
- 17:3517:35, 15 February 2016 diff hist 0 N File:AW2415-NH3 - 2 (Vibrational analysis).png No edit summary current
- 17:1417:14, 15 February 2016 diff hist +43 Rep:Mod:AW2415report →Molecule: NH3
- 17:0917:09, 15 February 2016 diff hist +194 Rep:Mod:AW2415report →Molecule: NH3
- 17:0917:09, 15 February 2016 diff hist 0 N File:NH3 - 2 (FIRST OPTIMISATION).LOG No edit summary current
- 17:0617:06, 15 February 2016 diff hist −9 Rep:Mod:AW2415report No edit summary
- 17:0617:06, 15 February 2016 diff hist 0 N File:NH3 - 2 (optimised).png No edit summary current
- 17:0417:04, 15 February 2016 diff hist 0 N File:NH3 - Optimised.tif No edit summary current
- 17:0217:02, 15 February 2016 diff hist 0 File:NH3 - 2 (first optimisation).gjf Aw2415 uploaded a new version of File:NH3 - 2 (first optimisation).gjf current
- 16:5816:58, 15 February 2016 diff hist +84 Rep:Mod:AW2415report No edit summary
- 16:5516:55, 15 February 2016 diff hist 0 N File:NH3 - 2 (first optimisation).gjf No edit summary
- 16:4716:47, 15 February 2016 diff hist +314 Rep:Mod:AW2415report →Molecule: NH3
- 16:4516:45, 15 February 2016 diff hist +334 N Rep:Mod:AW2415report Created page with "==Molecule: NH3== {| class="wikitable" border="1" ! Property !! |- | Calculation method || RB3LYP |- | Basis Set || 6-31G(d,p) |- | Final Energy || -56.55776873 au |- | RMS g..."