User contributions for Yz13712
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11 February 2015
- 16:0616:06, 11 February 2015 diff hist 0 N File:RCN NBO value.PNG No edit summary current
- 16:0216:02, 11 February 2015 diff hist −325 User:Yz13712 →Vibrational spectrum for [N(CH3)3(CH2CN)]+
- 16:0016:00, 11 February 2015 diff hist 0 N File:RCN IR.PNG No edit summary current
- 15:5915:59, 11 February 2015 diff hist −11 User:Yz13712 →Frequency of [N(CH3)3(CH2OH)]+:B3LYP/6-31G(d,p)
- 15:5915:59, 11 February 2015 diff hist 0 N File:RCN FREQ.LOG No edit summary current
- 15:5915:59, 11 February 2015 diff hist 0 N File:RCN freq.PNG No edit summary current
- 15:4915:49, 11 February 2015 diff hist 0 User:Yz13712 →Optimization of [N(CH3)3(CH2CN)]+
- 15:4915:49, 11 February 2015 diff hist −13 User:Yz13712 →Optimization of [N(CH3)3(CH2OH)]+
- 15:4815:48, 11 February 2015 diff hist 0 N File:RCN OPT.mol2 No edit summary current
- 15:4715:47, 11 February 2015 diff hist +176 User:Yz13712 →Optimisation and frequency analysis
- 15:4615:46, 11 February 2015 diff hist −33 User:Yz13712 →Optimisation and frequency analysis
- 15:4515:45, 11 February 2015 diff hist 0 N File:RCN OPT.LOG No edit summary current
- 15:4515:45, 11 February 2015 diff hist 0 N File:RCN opt.PNG No edit summary current
- 15:3115:31, 11 February 2015 diff hist −25 User:Yz13712 →NBO analysis for [N(CH3)3(CH2OH)]+
- 15:3015:30, 11 February 2015 diff hist 0 N File:N(CH3)3(CH2OH) NBO.LOG No edit summary current
- 15:3015:30, 11 February 2015 diff hist 0 N File:ROH NBO value.PNG No edit summary current
- 15:2915:29, 11 February 2015 diff hist +67 User:Yz13712 →MO=15 : weak anti-bonding
- 15:2915:29, 11 February 2015 diff hist −68 User:Yz13712 →MO=16 : strong anti-bonding
- 15:2815:28, 11 February 2015 diff hist 0 N File:ROH NBO.PNG No edit summary current
- 15:1915:19, 11 February 2015 diff hist −47 User:Yz13712 →Vibrational spectrum for [N(CH3)3(CH2OH)]+
- 15:1515:15, 11 February 2015 diff hist 0 N File:ROH IR.PNG No edit summary current
- 15:1315:13, 11 February 2015 diff hist 0 User:Yz13712 →Optimization of [N(CH3)3(CH2OH)]+
- 15:1215:12, 11 February 2015 diff hist +10 User:Yz13712 →Optimization of [N(CH3)3(CH2OH)]+
- 15:1215:12, 11 February 2015 diff hist 0 File:ROH opt.mol2 Yz13712 uploaded a new version of "File:ROH opt.mol2" current
- 15:1115:11, 11 February 2015 diff hist 0 N File:N(CH3)3(CH2OH) OPT.LOG No edit summary current
- 15:1115:11, 11 February 2015 diff hist 0 File:ROH opt.PNG Yz13712 uploaded a new version of "File:ROH opt.PNG" current
- 15:0915:09, 11 February 2015 diff hist −1 User:Yz13712 →Frequency of [N(CH3)3(CH2OH)]+:B3LYP/6-31G(d,p)
- 15:0915:09, 11 February 2015 diff hist +7 User:Yz13712 →Frequency of [N(CH3)3(CH2OH)]+:B3LYP/6-31G(d,p)
- 15:0915:09, 11 February 2015 diff hist 0 File:ROH freq.PNG Yz13712 uploaded a new version of "File:ROH freq.PNG" current
- 15:0815:08, 11 February 2015 diff hist 0 N File:N(CH3)3(CH2OH) FREQ.LOG No edit summary current
- 14:2014:20, 11 February 2015 diff hist −6 User:Yz13712 →Frequency of [N(CH3)3(CH2OH)]+:B3LYP/6-31G(d,p)
- 14:1914:19, 11 February 2015 diff hist 0 N File:ROH freq.PNG No edit summary
- 13:5413:54, 11 February 2015 diff hist 0 User:Yz13712 →Optimization of [N(CH3)3(CH2OH)]+
- 13:5313:53, 11 February 2015 diff hist −15 User:Yz13712 →Optimization of [N(CH3)3(CH2OH)]+
- 13:5313:53, 11 February 2015 diff hist 0 N File:ROH opt.mol2 No edit summary
- 13:5213:52, 11 February 2015 diff hist 0 N File:ROH OPT.LOG No edit summary current
- 13:5213:52, 11 February 2015 diff hist 0 N File:ROH opt.PNG No edit summary
- 13:3813:38, 11 February 2015 diff hist +36 User:Yz13712 →[N(CH3)3(CH2OH)]+:B3LYP/6-31G(d,p)
- 13:3613:36, 11 February 2015 diff hist +112 User:Yz13712 →Optimisation and frequency analysis
- 13:3513:35, 11 February 2015 diff hist −6 User:Yz13712 →[N(CH3)3(CH2OH)]+:B3LYP/6-31G(d,p) level
- 13:3313:33, 11 February 2015 diff hist −5 User:Yz13712 →Ionic Liquid Mini Project: Part 2
- 13:3313:33, 11 February 2015 diff hist +12,144 User:Yz13712 →MO=15 : weak anti-bonding
10 February 2015
- 16:2416:24, 10 February 2015 diff hist −471 User:Yz13712 →MO16 : strong anti-bonding
- 16:2316:23, 10 February 2015 diff hist 0 N File:MO 5 final.PNG No edit summary current
- 16:1716:17, 10 February 2015 diff hist −375 User:Yz13712 →MO15 : weak anti-bonding
- 16:1716:17, 10 February 2015 diff hist 0 N File:MO 4 final.PNG No edit summary current
- 16:0716:07, 10 February 2015 diff hist −466 User:Yz13712 →MO13 : weak bonding
- 16:0616:06, 10 February 2015 diff hist 0 N File:MO 3 final.PNG No edit summary current
- 15:4315:43, 10 February 2015 diff hist −597 User:Yz13712 →MO7 : medium bonding
- 15:4315:43, 10 February 2015 diff hist 0 N File:MO 2 final.PNG No edit summary current