User contributions for Fr216
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8 May 2018
- 15:5015:50, 8 May 2018 diff hist 0 N File:FR NH3 OPT.LOG No edit summary current
- 15:4915:49, 8 May 2018 diff hist +166 Rep:Mod:Fr216 Federica →Computational basis set = 6-31G(d,p)
- 15:4715:47, 8 May 2018 diff hist +1,166 Rep:Mod:Fr216 Federica →Molecules optimization and analysis
- 15:4115:41, 8 May 2018 diff hist +48 Rep:Mod:Fr216 Federica →Molecules optimization and analysis
- 15:4015:40, 8 May 2018 diff hist 0 N File:FR NH3 OPT FREQ.LOG No edit summary current
- 15:3615:36, 8 May 2018 diff hist +340 Rep:Mod:Fr216 Federica →Molecules optimization and analysis
- 15:3515:35, 8 May 2018 diff hist +80 Rep:Mod:Fr216 Federica →Molecules optimization and analysis
- 15:3515:35, 8 May 2018 diff hist 0 N File:Fr216 Summary nh3.png No edit summary current
- 15:3315:33, 8 May 2018 diff hist −6 Rep:Mod:Fr216 Federica →Molecules optimization and analysis
- 15:3315:33, 8 May 2018 diff hist +45 Rep:Mod:Fr216 Federica →NH3
- 15:2815:28, 8 May 2018 diff hist +4 Rep:Mod:Fr216 Federica →Computational basis set = 6-31G(d,p)
- 15:2815:28, 8 May 2018 diff hist +12 Rep:Mod:Fr216 Federica No edit summary
- 15:2115:21, 8 May 2018 diff hist +28 Rep:Mod:Fr216 Federica →Computational basis set = 6-31G(d,p)
- 15:0115:01, 8 May 2018 diff hist +78 Rep:Mod:Fr216 Federica →Computational basis set = 6-31G(d,p)
- 15:0115:01, 8 May 2018 diff hist 0 N File:Fr216 Spectrum bh3.png No edit summary current
- 14:5914:59, 8 May 2018 diff hist 0 File:Fr216 Vibrations.png Fr216 uploaded a new version of File:Fr216 Vibrations.png current
- 14:5914:59, 8 May 2018 diff hist 0 Rep:Mod:Fr216 Federica →Computational basis set = 6-31G(d,p)
- 14:5814:58, 8 May 2018 diff hist +129 Rep:Mod:Fr216 Federica →Computational basis set = 6-31G(d,p)
- 14:5714:57, 8 May 2018 diff hist 0 N File:Fr216 Vibrations.png No edit summary
- 14:5414:54, 8 May 2018 diff hist −947 Rep:Mod:Fr216 Federica No edit summary
- 14:5414:54, 8 May 2018 diff hist 0 File:FR BH3 OPT 2 SYM 2.LOG Fr216 uploaded a new version of File:FR BH3 OPT 2 SYM 2.LOG current
- 14:4914:49, 8 May 2018 diff hist 0 Rep:Mod:Fr216 Federica →Computational basis set = 6-31G(d,p)
- 14:4914:49, 8 May 2018 diff hist +264 Rep:Mod:Fr216 Federica No edit summary
- 14:4814:48, 8 May 2018 diff hist 0 N File:FR BH3 FREQUENCY.LOG No edit summary current
- 14:4714:47, 8 May 2018 diff hist 0 N File:FR BH3 OPT 2 SYM 2.LOG No edit summary
- 14:4114:41, 8 May 2018 diff hist 0 N File:Fr216 Summary bh3.png No edit summary current
- 14:3014:30, 8 May 2018 diff hist +1,325 Rep:Mod:Fr216 Federica No edit summary
- 13:3513:35, 8 May 2018 diff hist +1,489 N Rep:Mod:Fr216 Federica Created page with "BH3 optimised calculations results Item Value Threshold Converged? Maximum Force 0.000217 0.000450 YES RMS Force..."
4 May 2018
- 18:5018:50, 4 May 2018 diff hist −18,883 MRD:theadventuresoffedericainchemistry Blanked the page current
- 16:3616:36, 4 May 2018 diff hist +414 MRD:fr216 →Reaction Dynamics and the Polanyi Rules
- 16:3516:35, 4 May 2018 diff hist 0 N File:Fr216 La2.png No edit summary current
- 16:2716:27, 4 May 2018 diff hist +23 MRD:fr216 →Reaction Dynamics and the Polanyi Rules
- 16:2716:27, 4 May 2018 diff hist 0 MRD:fr216 →Reaction Dynamics and the Polanyi Rules
- 16:2616:26, 4 May 2018 diff hist +257 MRD:fr216 →Reaction Dynamics and the Polanyi Rules
- 16:2116:21, 4 May 2018 diff hist 0 N File:Fr216 La1.png No edit summary current
- 16:0616:06, 4 May 2018 diff hist +243 MRD:fr216 →Critical points Tag: Visual edit
- 15:5315:53, 4 May 2018 diff hist +24 MRD:fr216 →H+H2 Tag: Visual edit
- 15:5015:50, 4 May 2018 diff hist +18,883 N MRD:fr216 Created page with "= Molecular Reaction Dynamics = ==Abstract== Chemical reactions are often caused by collisions between particles, but not all collisions lead to a chemical reaction. The fol..."
- 15:3815:38, 4 May 2018 diff hist +71 MRD:theadventuresoffedericainchemistry →F- H - H
- 15:3415:34, 4 May 2018 diff hist +78 MRD:theadventuresoffedericainchemistry →H+H2
- 15:3215:32, 4 May 2018 diff hist +15 MRD:theadventuresoffedericainchemistry →H+H2 Tag: Visual edit
- 15:3015:30, 4 May 2018 diff hist +334 MRD:theadventuresoffedericainchemistry →Molecular Reaction Dynamics
- 15:2515:25, 4 May 2018 diff hist +1,071 MRD:theadventuresoffedericainchemistry →Molecular Reaction Dynamics
- 15:0215:02, 4 May 2018 diff hist +89 MRD:theadventuresoffedericainchemistry →Molecular Reaction Dynamics
- 15:0115:01, 4 May 2018 diff hist +20 MRD:theadventuresoffedericainchemistry →Critical points
- 14:5414:54, 4 May 2018 diff hist 0 MRD:theadventuresoffedericainchemistry →F- H - H
- 14:5314:53, 4 May 2018 diff hist +2 MRD:theadventuresoffedericainchemistry →F- H - H
- 14:4914:49, 4 May 2018 diff hist +95 MRD:theadventuresoffedericainchemistry →Reaction path and Trajectories
- 14:4814:48, 4 May 2018 diff hist +280 MRD:theadventuresoffedericainchemistry →Critical points Tag: Visual edit
- 14:4714:47, 4 May 2018 diff hist 0 N File:Fr216 finally.png No edit summary current