User contributions for Aa10010

24 January 2013

• 13:2213:22, 24 January 2013 diff hist +215 Rep:Mod:viktorfrankenstein →Determining the B-N bond dissociation energy
• 13:2113:21, 24 January 2013 diff hist +3 Rep:Mod:viktorfrankenstein →Frequency Analysis
• 13:1713:17, 24 January 2013 diff hist +71 Rep:Mod:viktorfrankenstein →Frequency Analysis
• 13:1613:16, 24 January 2013 diff hist +56 Rep:Mod:viktorfrankenstein →Frequency Analysis
• 13:1313:13, 24 January 2013 diff hist 0 Rep:Mod:viktorfrankenstein →Optimization using 6-31G (d,p) basis set
• 13:1113:11, 24 January 2013 diff hist 0 N File:Nh3bh3 opt631aina.png No edit summary current
• 13:1013:10, 24 January 2013 diff hist 0 N File:Nh3bh3 opt321aina.png No edit summary current
• 13:0913:09, 24 January 2013 diff hist +201 Rep:Mod:viktorfrankenstein →Initial Optimization using 3-21G basis set
• 13:0813:08, 24 January 2013 diff hist +20 Rep:Mod:viktorfrankenstein →Optimization using 6-31G (d,p) basis set
• 13:0713:07, 24 January 2013 diff hist +177 Rep:Mod:viktorfrankenstein →Optimization using 6-31G (d,p) basis set
• 13:0413:04, 24 January 2013 diff hist +223 Rep:Mod:viktorfrankenstein →Optimization using 6-31G (d,p) basis set
• 13:0313:03, 24 January 2013 diff hist +231 Rep:Mod:viktorfrankenstein →Initial Optimization using 3-21G basis set
• 12:5812:58, 24 January 2013 diff hist +14 Rep:Mod:viktorfrankenstein →Frequency Analysis
• 12:5712:57, 24 January 2013 diff hist +14 m Rep:Mod:viktorfrankenstein →Optimization using 6-31G (d,p) basis set
• 12:5712:57, 24 January 2013 diff hist +14 Rep:Mod:viktorfrankenstein →Initial Optimization using 3-21G basis set
• 12:5612:56, 24 January 2013 diff hist +1,079 Rep:Mod:viktorfrankenstein →Initial Optimization using 3-21G basis set
• 12:5412:54, 24 January 2013 diff hist −11 Rep:Mod:viktorfrankenstein →Initial Optimization using 3-21G basis set
• 12:5112:51, 24 January 2013 diff hist +71 Rep:Mod:viktorfrankenstein →Initial Optimization using 3-21G basis set
• 12:4812:48, 24 January 2013 diff hist +1,189 Rep:Mod:viktorfrankenstein →NH3BH3 Analysis
• 12:4612:46, 24 January 2013 diff hist +890 Rep:Mod:viktorfrankenstein →NH3BH3 Analysis
• 12:4112:41, 24 January 2013 diff hist +84 Rep:Mod:viktorfrankenstein →Frequency Analysis
• 12:3512:35, 24 January 2013 diff hist +49 Rep:Mod:viktorfrankenstein →NBO Analysis
• 12:2912:29, 24 January 2013 diff hist +47 Rep:Mod:viktorfrankenstein →Investigating Aromaticity
• 12:2812:28, 24 January 2013 diff hist +8 Rep:Mod:viktorfrankenstein →The Molecular Orbital Diagram of Benzene
• 12:2712:27, 24 January 2013 diff hist +8 Rep:Mod:viktorfrankenstein →Molecular orbitals of BH3
• 12:2612:26, 24 January 2013 diff hist +20 Rep:Mod:viktorfrankenstein →Bonding in Gaussview
• 12:2612:26, 24 January 2013 diff hist +40 Rep:Mod:viktorfrankenstein →Optimization of the BH3 using the B3LYP, 3-21G method
• 12:2612:26, 24 January 2013 diff hist 0 N File:Nh3 mo2aina.png No edit summary current
• 12:2512:25, 24 January 2013 diff hist 0 N File:Nh3 moaina2.png No edit summary current
• 12:2512:25, 24 January 2013 diff hist +60 Rep:Mod:viktorfrankenstein →NH3 NBO Analysis
• 12:2412:24, 24 January 2013 diff hist 0 N File:Nh3 monboaina1.png No edit summary current
• 12:2212:22, 24 January 2013 diff hist +38 Rep:Mod:viktorfrankenstein →NH3 NBO Analysis
• 12:2112:21, 24 January 2013 diff hist +271 Rep:Mod:viktorfrankenstein →NH3 NBO Analysis
• 11:5511:55, 24 January 2013 diff hist +7 Rep:Mod:viktorfrankenstein →BH3 Frequency and Vibrational (6-31G(d,p))Analysis
• 11:5511:55, 24 January 2013 diff hist +2 Rep:Mod:viktorfrankenstein →Optimization of the BH3 using the B3LYP, 6-31G method
• 11:5411:54, 24 January 2013 diff hist +2 Rep:Mod:viktorfrankenstein →Optimization of the BH3 using the B3LYP, 3-21G method
• 11:5211:52, 24 January 2013 diff hist 0 N File:Nh3 freq1.LOG No edit summary current
• 11:5211:52, 24 January 2013 diff hist 0 N File:Nh3 MO1.LOG No edit summary current
• 11:5111:51, 24 January 2013 diff hist +52 Rep:Mod:viktorfrankenstein →NH3 NBO Analysis
• 11:4011:40, 24 January 2013 diff hist 0 N File:Nh3 opt1.LOG No edit summary current
• 11:3911:39, 24 January 2013 diff hist −257 Rep:Mod:viktorfrankenstein →NH3 NBO Analysis
• 00:1900:19, 24 January 2013 diff hist +68 Rep:Mod:viktorfrankenstein →The Molecular Orbital Diagram of Benzene
• 00:1800:18, 24 January 2013 diff hist 0 N File:MO benzeneaina.PNG No edit summary current
• 00:1700:17, 24 January 2013 diff hist +260 Rep:Mod:viktorfrankenstein →Benzene Analysis
• 00:1100:11, 24 January 2013 diff hist +177 Rep:Mod:viktorfrankenstein →Investigating Aromaticity

23 January 2013

• 23:4823:48, 23 January 2013 diff hist +28 Rep:Mod:viktorfrankenstein →Investigating Aromaticity
• 23:4423:44, 23 January 2013 diff hist +459 Rep:Mod:viktorfrankenstein →NH3 NBO Analysis
• 19:5319:53, 23 January 2013 diff hist +696 Rep:Mod:viktorfrankenstein →NH3 NBO Analysis
• 19:4919:49, 23 January 2013 diff hist +143 Rep:Mod:viktorfrankenstein →NH3 NBO Analysis
• 19:4719:47, 23 January 2013 diff hist +709 Rep:Mod:viktorfrankenstein →NH3 NBO Analysis