User contributions for Pk1811

21 November 2013

• 15:4915:49, 21 November 2013 diff hist +301 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Conclusions on molecular structure
• 15:4715:47, 21 November 2013 diff hist +417 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Conclusions on molecular structure
• 15:1815:18, 21 November 2013 diff hist +1,174 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Conclusions on molecular structure
• 14:4714:47, 21 November 2013 diff hist +530 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Conclusions on molecular structure
• 14:2214:22, 21 November 2013 diff hist +660 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Conclusions on molecular structure

19 November 2013

• 17:4317:43, 19 November 2013 diff hist −42 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Summary outputs
• 17:4117:41, 19 November 2013 diff hist +828 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →MO and NBO calculations
• 17:3717:37, 19 November 2013 diff hist +4 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →MO and NBO calculations
• 17:3717:37, 19 November 2013 diff hist +1 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Sample MOs
• 17:3717:37, 19 November 2013 diff hist +765 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →MO and NBO calculations
• 17:1817:18, 19 November 2013 diff hist +18 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Molecular orbitals and NBO charges of methyl-ligand complexes
• 17:1717:17, 19 November 2013 diff hist −3 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 No edit summary
• 17:1617:16, 19 November 2013 diff hist +141 Rep:Mod:de403e6c-ea35-4dd5-aec1-fd7e3c51f158 No edit summary
• 17:1417:14, 19 November 2013 diff hist 0 N File:Pk log nch33ch2oh freq.log No edit summary current
• 17:1417:14, 19 November 2013 diff hist 0 N File:Pk log nch33ch2cn freq.log No edit summary current
• 17:1317:13, 19 November 2013 diff hist +526 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Vibrational modes
• 17:1217:12, 19 November 2013 diff hist +4,530 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Ligand influences on nitrogen metal centre complexes
• 16:2616:26, 19 November 2013 diff hist +2 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Calculation output
• 16:2516:25, 19 November 2013 diff hist +1,112 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Molecular orbitals and NBO charges of methyl-ligand complexes
• 16:1716:17, 19 November 2013 diff hist 0 N File:Pk log nch34 egy.log No edit summary current
• 16:1716:17, 19 November 2013 diff hist 0 N File:Pk log pch34 egy.log No edit summary current
• 16:1716:17, 19 November 2013 diff hist +628 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Molecular orbitals and NBO charges of methyl-ligand complexes
• 16:1216:12, 19 November 2013 diff hist +456 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Structures of methyl complexes
• 16:0116:01, 19 November 2013 diff hist +333 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Summary outputs
• 15:5915:59, 19 November 2013 diff hist +11 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Frequency analysis
• 15:5815:58, 19 November 2013 diff hist +1 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Vibration modes
• 15:5715:57, 19 November 2013 diff hist 0 N File:Pk log sch33 freq.log No edit summary current
• 15:5715:57, 19 November 2013 diff hist +402 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Vibration modes
• 13:1813:18, 19 November 2013 diff hist +42 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Frequency analysis
• 13:1613:16, 19 November 2013 diff hist +429 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Convergence outputs
• 13:1513:15, 19 November 2013 diff hist +193 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Optimisations
• 13:1313:13, 19 November 2013 diff hist +330 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Summary outputs

18 November 2013

• 16:4516:45, 18 November 2013 diff hist +683 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Optimisations
• 16:3116:31, 18 November 2013 diff hist +64 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Optimisations
• 16:0016:00, 18 November 2013 diff hist −1,009 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Vibration modes
• 15:5815:58, 18 November 2013 diff hist +28 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Frequency analysis
• 15:5715:57, 18 November 2013 diff hist +81 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Vibration modes
• 15:5515:55, 18 November 2013 diff hist −79 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Vibration modes
• 15:5415:54, 18 November 2013 diff hist +584 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Vibration modes
• 15:5115:51, 18 November 2013 diff hist 0 N File:Pk log pch34 freq.log No edit summary current
• 15:5115:51, 18 November 2013 diff hist 0 N File:Pk log nch34 freq.log No edit summary current
• 15:5015:50, 18 November 2013 diff hist 0 N File:Pk log pch34 opt.log No edit summary current
• 15:5015:50, 18 November 2013 diff hist 0 N File:Pk log nch34 opt.log No edit summary current
• 15:4915:49, 18 November 2013 diff hist +4 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Structures of methyl complexes
• 15:4915:49, 18 November 2013 diff hist +18 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Optimisation of methyl complexes
• 15:4715:47, 18 November 2013 diff hist +744 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Vibration modes
• 15:3315:33, 18 November 2013 diff hist 0 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Frequency analysis
• 15:3215:32, 18 November 2013 diff hist +626 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Frequency analysis
• 14:4314:43, 18 November 2013 diff hist +63 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Optimisation of methyl complexes
• 14:4114:41, 18 November 2013 diff hist +117 Rep:Mod:cbf5a234-49e7-4e4b-9d5d-85cf22add185 →Frequency analysis