User contributions for Zc1111

20 February 2015

• 08:5208:52, 20 February 2015 diff hist +1 m Rep:Mod:zc1111 →NBO Analysis
• 08:5008:50, 20 February 2015 diff hist +37 m Rep:Mod:zc1111 →NBO Analysis
• 08:4608:46, 20 February 2015 diff hist 0 N File:ZC NH3 NBO table.png No edit summary current
• 08:4508:45, 20 February 2015 diff hist 0 N File:ZC NH3 charge distribution 2.png No edit summary current

19 February 2015

• 00:3700:37, 19 February 2015 diff hist −4 Rep:Mod:zc1111 →B3LYP/6-31G(d,p)level
• 00:3700:37, 19 February 2015 diff hist +2 Rep:Mod:zc1111 →[NMe4]+:B3LYP/6-31G (d,p)
• 00:3600:36, 19 February 2015 diff hist +2 Rep:Mod:zc1111 →NMe4+:B3LYP/6-31G (d,p)
• 00:3100:31, 19 February 2015 diff hist +23 Rep:Mod:zc1111 →Comparison of Onium Cations
• 00:2600:26, 19 February 2015 diff hist +327 Rep:Mod:zc1111 →Comparison of Onium Cations

18 February 2015

• 23:5923:59, 18 February 2015 diff hist 0 Rep:Mod:zc1111 →Vibrational spectrum for NH3BH3
• 23:5823:58, 18 February 2015 diff hist +1 Rep:Mod:zc1111 →Vibrational spectrum for GaBr3
• 23:5623:56, 18 February 2015 diff hist +1 Rep:Mod:zc1111 →Vibrational spectrum for BH3
• 23:5523:55, 18 February 2015 diff hist +49 Rep:Mod:zc1111 →Vibrational spectrum for BH3
• 23:4523:45, 18 February 2015 diff hist 0 Rep:Mod:zc1111 →Vibrational spectrum for GaBr3
• 22:2022:20, 18 February 2015 diff hist −62 Rep:Mod:zc1111 →Vibrational spectrum for NH3
• 22:1022:10, 18 February 2015 diff hist +7 Rep:Mod:zc1111 →BH3:B3LYP/6-31G (d,p)
• 22:0522:05, 18 February 2015 diff hist −8 Rep:Mod:zc1111 →BH3:B3LYP/6-31G (d,p)
• 22:0522:05, 18 February 2015 diff hist 0 N File:ZC BH3 opt 2 .png No edit summary current
• 21:5821:58, 18 February 2015 diff hist +328 Rep:Mod:zc1111 →Energies
• 02:4302:43, 18 February 2015 diff hist +11 Rep:Mod:zc1111 →Energies
• 02:3702:37, 18 February 2015 diff hist +75 Rep:Mod:zc1111 →Charge Distribution Table
• 02:2602:26, 18 February 2015 diff hist −2 Rep:Mod:zc1111 →Charge Distribution Table
• 02:2402:24, 18 February 2015 diff hist +13 Rep:Mod:zc1111 →Charge Distribution Table
• 01:5701:57, 18 February 2015 diff hist +698 Rep:Mod:zc1111 →NBO Analysis
• 01:4601:46, 18 February 2015 diff hist 0 Rep:Mod:zc1111 →NBO Analysis
• 01:4401:44, 18 February 2015 diff hist 0 Rep:Mod:zc1111 →Energies
• 01:4301:43, 18 February 2015 diff hist 0 Rep:Mod:zc1111 →Energies
• 01:3501:35, 18 February 2015 diff hist −3 Rep:Mod:zc1111 →Part 2: Influence of functional groups
• 01:3201:32, 18 February 2015 diff hist +2 Rep:Mod:zc1111 →Acknowledgements
• 01:3101:31, 18 February 2015 diff hist +133 Rep:Mod:zc1111 →IR spectrum comparison
• 01:2601:26, 18 February 2015 diff hist −22 Rep:Mod:zc1111 →Energies
• 01:2501:25, 18 February 2015 diff hist +2 Rep:Mod:zc1111 →GaBr3 Frequency Analysis
• 01:2401:24, 18 February 2015 diff hist 0 Rep:Mod:zc1111 →Third Year Computational Lab- Part 1
• 01:1601:16, 18 February 2015 diff hist 0 Rep:Mod:zc1111 →Optimization log file
• 01:1301:13, 18 February 2015 diff hist +6 Rep:Mod:zc1111 →Discussion
• 01:1201:12, 18 February 2015 diff hist −1 Rep:Mod:zc1111 →B3LYP/6-31G(d,p)level
• 01:0801:08, 18 February 2015 diff hist 0 Rep:Mod:zc1111 →Vibrational spectrum for NH3BH3
• 01:0401:04, 18 February 2015 diff hist −7 Rep:Mod:zc1111 →Vibrational spectrum for NH3BH3
• 01:0301:03, 18 February 2015 diff hist 0 N File:ZC amm borane IR.jpg No edit summary current
• 01:0101:01, 18 February 2015 diff hist +140 Rep:Mod:zc1111 →NH3BH3:B3LYP/6-31G(d,p) level
• 00:5900:59, 18 February 2015 diff hist 0 N File:Correct freq 2 amm borane zc.log No edit summary current
• 00:5900:59, 18 February 2015 diff hist 0 N File:Zc correct freq sum table .jpg No edit summary current
• 00:4900:49, 18 February 2015 diff hist +54 Rep:Mod:zc1111 →NH3BH3:B3LYP/6-31G(d,p) level
• 00:4900:49, 18 February 2015 diff hist 0 N File:Zc Opt summ amm borane.jpg No edit summary current
• 00:4700:47, 18 February 2015 diff hist 0 N File:Amm borane correct opt zc output jml.mol No edit summary current
• 00:4500:45, 18 February 2015 diff hist 0 N File:Amm borane correct opt zc output.log No edit summary current
• 00:0000:00, 18 February 2015 diff hist −1 Rep:Mod:zc1111 →MO Analysis

17 February 2015

• 23:5823:58, 17 February 2015 diff hist +1 Rep:Mod:zc1111 →References
• 23:5523:55, 17 February 2015 diff hist 0 Rep:Mod:zc1111 →Discussion
• 23:5423:54, 17 February 2015 diff hist +2,582 Rep:Mod:zc1111 →NBO Analysis