User contributions for Mvacher
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10 May 2010
- 09:0209:02, 10 May 2010 diff hist +125 Let's try with a smaller cycle No edit summary
- 08:5508:55, 10 May 2010 diff hist 0 Let's try with a smaller cycle No edit summary
- 08:4708:47, 10 May 2010 diff hist +11 Let's try with a smaller cycle →Optimise the geometry of the ground state minimum
5 May 2010
- 16:4916:49, 5 May 2010 diff hist +182 Let's try with a smaller cycle No edit summary
- 16:3416:34, 5 May 2010 diff hist −1 Let's try with a smaller cycle No edit summary
- 16:3316:33, 5 May 2010 diff hist 0 N File:S1 oniom cas 631gd am1.log No edit summary current
- 16:3016:30, 5 May 2010 diff hist 0 N File:S0 oniom cas 631gd am1.log No edit summary current
- 16:1116:11, 5 May 2010 diff hist −4 Let's try with a smaller cycle No edit summary
- 16:1116:11, 5 May 2010 diff hist +1 Let's try with a smaller cycle No edit summary
- 16:1016:10, 5 May 2010 diff hist −10 Let's try with a smaller cycle No edit summary
- 16:0916:09, 5 May 2010 diff hist −487 Let's try with a smaller cycle No edit summary
- 16:0116:01, 5 May 2010 diff hist −8 Let's try with a smaller cycle No edit summary
- 15:5915:59, 5 May 2010 diff hist 0 N File:Orbitals flat hf 631gd.log No edit summary current
- 15:5815:58, 5 May 2010 diff hist 0 N File:Orbitals flat hf 631gd.gjf No edit summary current
- 15:5715:57, 5 May 2010 diff hist +5 Let's try with a smaller cycle No edit summary
- 15:5615:56, 5 May 2010 diff hist −495 Let's try with a smaller cycle →Find the S1/S0 conical intersections
- 15:4215:42, 5 May 2010 diff hist 0 N File:Conical.jpg No edit summary current
- 15:4215:42, 5 May 2010 diff hist 0 N File:Conical guess.jpg No edit summary current
- 15:4115:41, 5 May 2010 diff hist +69 Let's try with a smaller cycle →Find the S1/S0 conical intersections
- 15:3215:32, 5 May 2010 diff hist +10 Let's try with a smaller cycle No edit summary
- 15:3115:31, 5 May 2010 diff hist +12 Let's try with a smaller cycle No edit summary
- 15:3015:30, 5 May 2010 diff hist 0 N File:S1 opt.jpg No edit summary current
- 15:2915:29, 5 May 2010 diff hist −10 Let's try with a smaller cycle No edit summary
- 15:2215:22, 5 May 2010 diff hist +27 Let's try with a smaller cycle No edit summary
- 15:2115:21, 5 May 2010 diff hist +145 Let's try with a smaller cycle →Optimise the geometry of the ground state minimum
- 15:1815:18, 5 May 2010 diff hist +12 Let's try with a smaller cycle No edit summary
- 15:1715:17, 5 May 2010 diff hist 0 N File:S0 opt.jpg No edit summary current
- 15:1315:13, 5 May 2010 diff hist −44 Let's try with a smaller cycle →Optimise the geometry of the ground state minimum
- 15:1015:10, 5 May 2010 diff hist −7 Let's try with a smaller cycle No edit summary
- 15:0915:09, 5 May 2010 diff hist +277 Let's try with a smaller cycle No edit summary
- 15:0615:06, 5 May 2010 diff hist +237 Let's try with a smaller cycle No edit summary
- 15:0115:01, 5 May 2010 diff hist 0 N File:S0s1 CI oniom cas 631gd am1.log No edit summary current
- 15:0115:01, 5 May 2010 diff hist 0 N File:S0s1 CI oniom cas 631gd am1.gjf No edit summary current
- 15:0015:00, 5 May 2010 diff hist 0 N File:S1 oniom cas 631gd am1.gjf No edit summary current
- 15:0015:00, 5 May 2010 diff hist 0 N File:S0s1 FC oniom cas 631gd am1.log No edit summary current
- 15:0015:00, 5 May 2010 diff hist 0 N File:S0s1 FC oniom cas 631gd am1.gjf No edit summary current
- 14:5814:58, 5 May 2010 diff hist 0 N File:S0 oniom cas 631gd am1.gjf No edit summary current
- 14:5814:58, 5 May 2010 diff hist 0 N File:Orbitals cas 631gd.log No edit summary current
- 14:5814:58, 5 May 2010 diff hist 0 N File:Orbitals cas 631gd.gjf No edit summary current
- 14:5814:58, 5 May 2010 diff hist 0 N File:Orbitals flat hf 431g.log No edit summary current
- 14:5714:57, 5 May 2010 diff hist 0 N File:Orbitals flat hf 431g.gjf No edit summary current
- 14:5714:57, 5 May 2010 diff hist 0 N File:Orbitals flat hf sto3g.log No edit summary current
- 14:5714:57, 5 May 2010 diff hist 0 N File:Orbitals flat hf sto3g.gjf No edit summary current
- 14:5614:56, 5 May 2010 diff hist 0 N File:Orbitals flat.log No edit summary current
- 14:5614:56, 5 May 2010 diff hist 0 N File:Orbitals flat.gjf No edit summary current
- 14:0014:00, 5 May 2010 diff hist +235 Let's try with a smaller cycle No edit summary
- 13:5213:52, 5 May 2010 diff hist 0 N File:Active space24.jpg No edit summary current
- 13:5213:52, 5 May 2010 diff hist 0 N File:Active space23.jpg No edit summary current
- 13:5113:51, 5 May 2010 diff hist 0 N File:Active space22.jpg No edit summary current
- 13:5113:51, 5 May 2010 diff hist 0 N File:Active space21.jpg No edit summary current