User contributions for Clc409

6 February 2012

• 21:2221:22, 6 February 2012 diff hist 0 N File:Summary of Natural Population Analysis.PNG No edit summary current
• 21:2221:22, 6 February 2012 diff hist 0 N File:Second order perturbation Bh3.PNG No edit summary current
• 21:2221:22, 6 February 2012 diff hist 0 N File:NBO BH3 Ocuppacy.PNG No edit summary current
• 21:2221:22, 6 February 2012 diff hist 0 N File:Charges on BH3 graph.PNG No edit summary current
• 21:2021:20, 6 February 2012 diff hist +20 Rep:Mod:chilong module2 →NBO Analysis
• 21:1821:18, 6 February 2012 diff hist +137 Rep:Mod:chilong module2 →NBO Analysis
• 21:1621:16, 6 February 2012 diff hist +181 Rep:Mod:chilong module2 →NBO Analysis
• 20:5920:59, 6 February 2012 diff hist +938 Rep:Mod:chilong module2 →Vibrational analysis
• 20:5820:58, 6 February 2012 diff hist 0 N File:CrCO5 CH3 IR CO stretch.PNG No edit summary current
• 20:5820:58, 6 February 2012 diff hist 0 N File:CrCO5 CH3 IR low fre.PNG No edit summary current
• 20:5820:58, 6 February 2012 diff hist 0 N File:CrCO5 CH3 IR spec.PNG No edit summary current
• 20:5520:55, 6 February 2012 diff hist 0 N File:CrCO5 F IR CO stretch.PNG No edit summary current
• 20:5520:55, 6 February 2012 diff hist 0 N File:CrCO5 F IR low fre.PNG No edit summary current
• 20:5520:55, 6 February 2012 diff hist 0 N File:CrCO5 F IR spec.PNG No edit summary current
• 20:4920:49, 6 February 2012 diff hist +37 Rep:Mod:chilong module2 →Molecular Orbitals
• 20:4820:48, 6 February 2012 diff hist +244 Rep:Mod:chilong module2 →Vibrational analysis
• 20:4420:44, 6 February 2012 diff hist 0 File:TlBr3 IR low fre.PNG uploaded a new version of "File:TlBr3 IR low fre.PNG" current
• 20:4320:43, 6 February 2012 diff hist 0 N File:TlBr3 IR low fre.PNG No edit summary
• 20:4120:41, 6 February 2012 diff hist +278 Rep:Mod:chilong module2 →Vibrational analysis
• 20:3920:39, 6 February 2012 diff hist 0 N File:Trans IR SpeC low fre.PNG No edit summary current
• 20:3920:39, 6 February 2012 diff hist 0 N File:Cis low fre.PNG No edit summary current
• 20:3620:36, 6 February 2012 diff hist +75 Rep:Mod:chilong module2 →Further optimization
• 20:3220:32, 6 February 2012 diff hist +91 Rep:Mod:chilong module2 →Initial optimization
• 20:3020:30, 6 February 2012 diff hist +1 Rep:Mod:chilong module2 →Further optimization
• 20:2820:28, 6 February 2012 diff hist +115 Rep:Mod:chilong module2 →Optimization with charged complexes Basis set = (LANL2DZ for Mn, 6-31G for C,O)
• 20:2720:27, 6 February 2012 diff hist +91 Rep:Mod:chilong module2 →Optimization with charged complexes Basis set = (LANL2DZ for Mn, 6-31G for C,O)
• 20:2420:24, 6 February 2012 diff hist +195 Rep:Mod:chilong module2 →Vibrational analysis
• 20:2220:22, 6 February 2012 diff hist +75 Rep:Mod:chilong module2 →Optimization
• 20:2020:20, 6 February 2012 diff hist +44 Rep:Mod:chilong module2 →MO Analysis
• 20:1820:18, 6 February 2012 diff hist +38 Rep:Mod:chilong module2 →Vibrational analysis
• 20:1520:15, 6 February 2012 diff hist +56 Rep:Mod:chilong module2 →MO Analysis
• 20:1420:14, 6 February 2012 diff hist +37 Rep:Mod:chilong module2 →Vibrational analysis
• 20:1320:13, 6 February 2012 diff hist +72 Rep:Mod:chilong module2 →6-311G Optimization with charged complexes
• 20:1020:10, 6 February 2012 diff hist +34 Rep:Mod:chilong module2 →LANL2DZ Optimization with non-charged complexes
• 20:1020:10, 6 February 2012 diff hist +81 Rep:Mod:chilong module2 →LANL2DZ Optimization with non-charged complexes
• 20:0820:08, 6 February 2012 diff hist +89 Rep:Mod:chilong module2 →LANL2DZ Optimization with non-charged complexes
• 18:5818:58, 6 February 2012 diff hist +1,046 Rep:Mod:chilong module2 →optimization
• 18:5218:52, 6 February 2012 diff hist 0 N File:CrCO5 CH3 OP.mol No edit summary current
• 18:5218:52, 6 February 2012 diff hist 0 N File:CrCO5 CH3 OP con.PNG No edit summary current
• 18:5218:52, 6 February 2012 diff hist 0 N File:CrCO5 CH3 OP summary.PNG No edit summary current
• 18:5218:52, 6 February 2012 diff hist 0 N File:CrCO5 CH3 OP structure.PNG No edit summary current
• 18:5218:52, 6 February 2012 diff hist 0 N File:CrCO5 F OP.mol No edit summary current
• 18:5218:52, 6 February 2012 diff hist 0 N File:CrCO5 F OP con.PNG No edit summary current
• 18:5218:52, 6 February 2012 diff hist 0 N File:CrCO5 F OP SUMMARY.PNG No edit summary current
• 18:5218:52, 6 February 2012 diff hist 0 N File:CrCO5 F OP structure.PNG No edit summary current
• 18:3518:35, 6 February 2012 diff hist +626 Rep:Mod:chilong module2 →Vibrational analysis
• 18:3218:32, 6 February 2012 diff hist 0 N File:1Mn CO6 6-311GOp IR spec.PNG No edit summary current
• 18:3218:32, 6 February 2012 diff hist 0 N File:1Mn CO6 6-311GOp IR low fre.PNG No edit summary current
• 18:3218:32, 6 February 2012 diff hist 0 N File:Charged TiCO6 6311G IR spec.PNG No edit summary current
• 18:3218:32, 6 February 2012 diff hist 0 N File:Charged TiCO6 6311G IR low fre.PNG No edit summary current