User contributions for Nao09

15 December 2011

• 12:1312:13, 15 December 2011 diff hist +2 Rep:Mod:RUNAOns3 →Diels-Alder Reactions
• 12:1312:13, 15 December 2011 diff hist 0 N File:Reaction DA 2.PNG No edit summary
• 12:1312:13, 15 December 2011 diff hist 0 N File:Reaction DA.PNG No edit summary current
• 12:1212:12, 15 December 2011 diff hist +253 Rep:Mod:RUNAOns3 →Diels-Alder Reactions
• 12:0812:08, 15 December 2011 diff hist +64 Rep:Mod:RUNAOns3 →Diels-Alder Reactions
• 11:5111:51, 15 December 2011 diff hist +589 Rep:Mod:RUNAOns3 →Diels-Alder Reactions
• 11:4111:41, 15 December 2011 diff hist +289 Rep:Mod:RUNAOns3 →Diels-Alder Reactions
• 11:2511:25, 15 December 2011 diff hist +27 Rep:Mod:RUNAOns3 →Analysis of the Thermodynamic Properties of 1,5-Hexadiene

13 December 2011

• 11:1611:16, 13 December 2011 diff hist +255 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 01:3001:30, 13 December 2011 diff hist +2 Rep:Mod:RUNAOns3 →Analysis of the Thermodynamic Properties of 1,5-Hexadiene
• 01:2901:29, 13 December 2011 diff hist +125 Rep:Mod:RUNAOns3 →Analysis of the Thermodynamic Properties of 1,5-Hexadiene
• 01:2801:28, 13 December 2011 diff hist +588 Rep:Mod:RUNAOns3 →Analysis of the Thermodynamic Properties of 1,5-Hexadiene
• 00:4800:48, 13 December 2011 diff hist +286 Rep:Mod:RUNAOns3 →Analysis of the Thermodynamic Properties of 1,5-Hexadiene
• 00:4100:41, 13 December 2011 diff hist +67 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 00:3300:33, 13 December 2011 diff hist +109 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 00:3100:31, 13 December 2011 diff hist +630 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 00:2200:22, 13 December 2011 diff hist +457 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 00:1000:10, 13 December 2011 diff hist +529 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)

12 December 2011

• 23:5623:56, 12 December 2011 diff hist +28 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 23:5523:55, 12 December 2011 diff hist 0 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 23:5423:54, 12 December 2011 diff hist +3 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 23:5323:53, 12 December 2011 diff hist +60 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 23:5223:52, 12 December 2011 diff hist +842 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 23:3223:32, 12 December 2011 diff hist +1 Rep:Mod:RUNAOns3 →Comparison of HF/3-21G and B3LYP/6-31G(d)
• 23:3123:31, 12 December 2011 diff hist 0 N File:Structure 5 dihedral angle diff.PNG No edit summary current
• 23:3123:31, 12 December 2011 diff hist 0 N File:Structure 5 Bond lengths diff.PNG No edit summary current
• 23:2823:28, 12 December 2011 diff hist 0 N File:Gauche 1,5 hexadiene IR mychange DFT.PNG No edit summary current
• 23:2823:28, 12 December 2011 diff hist 0 N File:Gauche 1,5 hexadiene IR mychange.PNG No edit summary current
• 23:2823:28, 12 December 2011 diff hist 0 N File:Gauche 1,5 hexadiene IR DFT.PNG No edit summary current
• 23:2823:28, 12 December 2011 diff hist 0 N File:Gauche 1,5 hexadiene IR.PNG No edit summary current
• 23:2823:28, 12 December 2011 diff hist 0 N File:Anti1 FREQ DFT.PNG No edit summary current
• 23:2823:28, 12 December 2011 diff hist 0 N File:Anti1 FREQ.PNG No edit summary current
• 23:2823:28, 12 December 2011 diff hist 0 N File:Anti 2 IR DFT.PNG No edit summary current
• 23:2823:28, 12 December 2011 diff hist 0 N File:Anti 2 HF.PNG No edit summary current
• 23:2823:28, 12 December 2011 diff hist 0 N File:1,5 hexadiene IR DFT.PNG No edit summary current
• 23:2823:28, 12 December 2011 diff hist 0 N File:1,5 hexadiene IR.PNG No edit summary current
• 23:2523:25, 12 December 2011 diff hist 0 Rep:Mod:RUNAOns3 →Optimization of 1,5-hexadiene
• 23:2323:23, 12 December 2011 diff hist +291 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 22:0422:04, 12 December 2011 diff hist +36 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 22:0122:01, 12 December 2011 diff hist +30 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 22:0022:00, 12 December 2011 diff hist +274 Rep:Mod:RUNAOns3 →Vibrational Spectra of the Structures using HF/3-21G and B3LYP/6-31G(d)
• 21:4321:43, 12 December 2011 diff hist +79 Rep:Mod:RUNAOns3 →Comparison of HF/3-21G and B3LYP/6-31G(d)
• 21:4221:42, 12 December 2011 diff hist +189 Rep:Mod:RUNAOns3 →Comparison of HF/3-21G and B3LYP/6-31G(d)
• 21:3221:32, 12 December 2011 diff hist +279 Rep:Mod:RUNAOns3 →Comparison of HF/3-21G and B3LYP/6-31G(d)
• 21:2121:21, 12 December 2011 diff hist +407 Rep:Mod:RUNAOns3 →Comparison of HF/3-21G and B3LYP/6-31G(d)
• 19:2519:25, 12 December 2011 diff hist +144 Rep:Mod:RUNAOns3 →Optimization of the Anti and guache 1,5-hexadiene
• 19:2019:20, 12 December 2011 diff hist −73 Rep:Mod:RUNAOns3 →Optimization of the Anti and guache 1,5-hexadiene
• 19:1919:19, 12 December 2011 diff hist +728 Rep:Mod:RUNAOns3 →Optimization of the Anti and guache 1,5-hexadiene
• 19:0419:04, 12 December 2011 diff hist +10 Rep:Mod:RUNAOns3 →Optimization of the Anti and guache 1,5-hexadiene
• 19:0319:03, 12 December 2011 diff hist +28 Rep:Mod:RUNAOns3 →Optimization of the Anti and guache 1,5-hexadiene