User contributions for Clc409
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7 February 2012
- 14:4914:49, 7 February 2012 diff hist 0 N File:MnCO6 HOMO.PNG No edit summary
- 14:4914:49, 7 February 2012 diff hist 0 N File:LUMO+5.PNG No edit summary current
- 13:5913:59, 7 February 2012 diff hist +705 Rep:Mod:chilong module2 →=Natural Charges
- 13:1513:15, 7 February 2012 diff hist +57 Rep:Mod:chilong module2 →MO Analysis
- 13:1413:14, 7 February 2012 diff hist +57 Rep:Mod:chilong module2 →MO Analysis
- 13:1113:11, 7 February 2012 diff hist +473 Rep:Mod:chilong module2 →NBO Analysis
- 13:1113:11, 7 February 2012 diff hist 0 N File:Charges MnCO6.PNG No edit summary current
- 13:1113:11, 7 February 2012 diff hist 0 N File:Charges TiCO6.PNG No edit summary current
- 13:0113:01, 7 February 2012 diff hist +324 Rep:Mod:chilong module2 →MO Analysis
- 12:5712:57, 7 February 2012 diff hist +544 Rep:Mod:chilong module2 →MO Analysis
- 12:5712:57, 7 February 2012 diff hist 0 N File:T2g CO combo.PNG No edit summary current
- 12:5712:57, 7 February 2012 diff hist 0 N File:T1u CO combo.PNG No edit summary current
- 12:5712:57, 7 February 2012 diff hist 0 N File:T1g CO combo.PNG No edit summary
- 12:4912:49, 7 February 2012 diff hist +1 Rep:Mod:chilong module2 →NBO Analysis
- 12:4812:48, 7 February 2012 diff hist +1,200 Rep:Mod:chilong module2 →NBO Analysis
- 12:3112:31, 7 February 2012 diff hist 0 Rep:Mod:chilong module2 →NBO Analysis
- 12:3012:30, 7 February 2012 diff hist +447 Rep:Mod:chilong module2 →NBO Analysis
- 12:2812:28, 7 February 2012 diff hist 0 N File:Back bonding for TiCO6.jpg No edit summary current
- 12:2812:28, 7 February 2012 diff hist 0 N File:Back bonding for MnCO6.png No edit summary current
- 12:1912:19, 7 February 2012 diff hist +349 Rep:Mod:chilong module2 →Optimization with charged complexes Basis set = (LANL2DZ for Mn, 6-31G for C,O)
- 11:5911:59, 7 February 2012 diff hist +222 Rep:Mod:chilong module2 →Further optimization
- 11:2211:22, 7 February 2012 diff hist +605 Rep:Mod:chilong module2 →Mini Project
- 11:1411:14, 7 February 2012 diff hist 0 Rep:Mod:chilong module2 →Optimization with charged complexes Basis set = (LANL2DZ for Mn, 6-31G for C,O)
- 11:1411:14, 7 February 2012 diff hist 0 Rep:Mod:chilong module2 →LANL2DZ Optimization with non-charged metal complexes
- 11:1311:13, 7 February 2012 diff hist +206 Rep:Mod:chilong module2 →Vibrational analysis
- 11:0911:09, 7 February 2012 diff hist +487 Rep:Mod:chilong module2 →Vibrational analysis
- 10:5910:59, 7 February 2012 diff hist 0 Rep:Mod:chilong module2 →Further optimization
- 10:5810:58, 7 February 2012 diff hist 0 Rep:Mod:chilong module2 →Initial optimization
- 10:5710:57, 7 February 2012 diff hist 0 Rep:Mod:chilong module2 →Initial optimization
- 10:5610:56, 7 February 2012 diff hist +17 Rep:Mod:chilong module2 →Optimization
- 10:5510:55, 7 February 2012 diff hist +240 Rep:Mod:chilong module2 →Vibrational analysis
- 10:4510:45, 7 February 2012 diff hist +298 Rep:Mod:chilong module2 →Vibrational analysis
- 10:3910:39, 7 February 2012 diff hist 0 Rep:Mod:chilong module2 →Optimization
- 10:3910:39, 7 February 2012 diff hist −1 Rep:Mod:chilong module2 →Optimization
- 10:3810:38, 7 February 2012 diff hist +326 Rep:Mod:chilong module2 →Optimization
- 10:3510:35, 7 February 2012 diff hist +177 Rep:Mod:chilong module2 →NBO Analysis
- 10:3310:33, 7 February 2012 diff hist +572 Rep:Mod:chilong module2 →BH3
- 04:0504:05, 7 February 2012 diff hist +56 Rep:Mod:chilong module2 →Charge distributions
- 04:0304:03, 7 February 2012 diff hist +245 Rep:Mod:chilong module2 →Charge distributions
- 03:5903:59, 7 February 2012 diff hist +1 Rep:Mod:chilong module2 →Optimization
- 03:5803:58, 7 February 2012 diff hist +80 Rep:Mod:chilong module2 →Bond orbital/ Coefficients/ Hybrids
- 03:5603:56, 7 February 2012 diff hist +1,619 Rep:Mod:chilong module2 →Vibrational analysis
- 03:2903:29, 7 February 2012 diff hist +3,262 Rep:Mod:chilong module2 →Determining suitable basis sets for Optimization
- 02:4702:47, 7 February 2012 diff hist +1,122 Rep:Mod:chilong module2 →Mini Project
- 02:2502:25, 7 February 2012 diff hist +118 Rep:Mod:chilong module2 →Mini Project
- 02:2302:23, 7 February 2012 diff hist +119 Rep:Mod:chilong module2 →Optimization
- 01:5801:58, 7 February 2012 diff hist +1 Rep:Mod:chilong module2 →Mini Project
6 February 2012
- 21:2521:25, 6 February 2012 diff hist 0 Rep:Mod:chilong module2 →Charge distributions
- 21:2421:24, 6 February 2012 diff hist +551 Rep:Mod:chilong module2 →NBO Analysis
- 21:2221:22, 6 February 2012 diff hist 0 N File:Natural bond orbitals.PNG No edit summary current