User contributions for Jrc10
20 January 2013
- 14:3414:34, 20 January 2013 diff hist +33 N File:NH3BH3 OPTIMIZATION 631G DP.LOG .log file for NH3BH3 optimization current
- 14:3314:33, 20 January 2013 diff hist +903 Rep:Mod:quantumblock →=Optimization= Calculation
- 14:2814:28, 20 January 2013 diff hist +12 Rep:Mod:quantumblock →Optimization
- 14:2714:27, 20 January 2013 diff hist +18 Rep:Mod:quantumblock →NH3BH3 and Association energies
- 14:2614:26, 20 January 2013 diff hist +191 Rep:Mod:quantumblock →NBO Analysis
- 12:0012:00, 20 January 2013 diff hist 0 File:MO for BH3.pdf uploaded a new version of "File:MO for BH3.pdf": MO diagram of BH3 with LCAO and calculated MOs current
- 11:4211:42, 20 January 2013 diff hist +204 Rep:Mod:quantumblock →NBO Analysis
- 11:2811:28, 20 January 2013 diff hist 0 File:CRON NH3 charge distribution.jpg uploaded a new version of "File:CRON NH3 charge distribution.jpg": NH3 charge distribution current
- 11:2611:26, 20 January 2013 diff hist +1 Rep:Mod:quantumblock →NBO Analysis
- 11:2511:25, 20 January 2013 diff hist +127 Rep:Mod:quantumblock →NBO Analysis
- 11:2311:23, 20 January 2013 diff hist +34 N File:CRON NH3 charge distribution.jpg NH3 with charge distribution shown
- 11:2211:22, 20 January 2013 diff hist +220 Rep:Mod:quantumblock →Molecular Orbital Calculations
- 11:1311:13, 20 January 2013 diff hist +40 Rep:Mod:quantumblock →Molecular Orbital Calculations
- 11:0311:03, 20 January 2013 diff hist 0 Rep:Mod:quantumblock →Molecular Orbital Analysis of BH3
- 11:0211:02, 20 January 2013 diff hist 0 Rep:Mod:quantumblock →Molecular Orbital Analysis of BH3
- 10:5910:59, 20 January 2013 diff hist −9 Rep:Mod:quantumblock →Molecular Orbital Calculations
- 10:5810:58, 20 January 2013 diff hist +12 Rep:Mod:quantumblock →Molecular Orbital Calculations
- 10:5710:57, 20 January 2013 diff hist +6 Rep:Mod:quantumblock →Molecular Orbital Calculations
- 10:5710:57, 20 January 2013 diff hist +15 Rep:Mod:quantumblock →Molecular Orbital Calculations
- 10:5610:56, 20 January 2013 diff hist +231 Rep:Mod:quantumblock →Molecular Orbital Calculations
- 10:5510:55, 20 January 2013 diff hist +79 Rep:Mod:quantumblock →Molecular Orbital Calculations
- 10:5410:54, 20 January 2013 diff hist +9 N File:CRON Nh3 mo8.jpg Mo of NH3 current
- 10:5410:54, 20 January 2013 diff hist +9 N File:CRON Nh3 mo7.jpg Mo of NH3 current
- 10:5410:54, 20 January 2013 diff hist +9 N File:CRON Nh3 mo6.jpg Mo of NH3 current
- 10:5410:54, 20 January 2013 diff hist +9 N File:CRON Nh3 mo5.jpg Mo of NH3 current
- 10:5410:54, 20 January 2013 diff hist +9 N File:CRON Nh3 mo4.jpg Mo of NH3 current
- 10:5410:54, 20 January 2013 diff hist +9 N File:CRON Nh3 mo3.jpg Mo of NH3 current
- 10:5410:54, 20 January 2013 diff hist +9 N File:CRON Nh3 mo2.jpg Mo of NH3 current
- 10:5410:54, 20 January 2013 diff hist +9 N File:CRON Nh3 mo1.jpg Mo of NH3 current
- 10:4610:46, 20 January 2013 diff hist 0 Rep:Mod:quantumblock →Molecular Orbital Calculations
- 10:3610:36, 20 January 2013 diff hist +662 Rep:Mod:quantumblock →Frequency Analysis
- 10:1810:18, 20 January 2013 diff hist +430 Rep:Mod:quantumblock →Frequency Analysis
- 10:0710:07, 20 January 2013 diff hist 0 Rep:Mod:quantumblock →Frequency Analysis
- 10:0710:07, 20 January 2013 diff hist 0 Rep:Mod:quantumblock →Frequency Analysis
- 10:0410:04, 20 January 2013 diff hist −11 Rep:Mod:quantumblock →Frequency Analysis
- 10:0410:04, 20 January 2013 diff hist +36 N File:CRON NH3 frequency.LOG .log file for NH3 frequency analysis current
- 10:0310:03, 20 January 2013 diff hist +2,851 Rep:Mod:quantumblock →Optimization Calculation
- 09:5309:53, 20 January 2013 diff hist +1,589 Rep:Mod:quantumblock →Optimization Calculation
- 09:4909:49, 20 January 2013 diff hist −3 Rep:Mod:quantumblock →Optimization Calculation
- 09:4909:49, 20 January 2013 diff hist +26 N File:NH3 optimised.mol Jmol file of optimized NH3 current
- 09:4709:47, 20 January 2013 diff hist +8 Rep:Mod:quantumblock →Optimization Calculation
- 09:4609:46, 20 January 2013 diff hist +30 N File:CRON NH3 OPTIMIZATION 631G DP.LOG .log file for NH3 optimization
- 09:4509:45, 20 January 2013 diff hist −12 Rep:Mod:quantumblock →Optimization Calculation
- 09:4309:43, 20 January 2013 diff hist −5 Rep:Mod:quantumblock →Optimization Calculation
- 09:3809:38, 20 January 2013 diff hist +1 Rep:Mod:quantumblock →=Optimization Calculation
- 09:3809:38, 20 January 2013 diff hist +1,050 Rep:Mod:quantumblock →Day 4
- 09:3409:34, 20 January 2013 diff hist +13 Rep:Mod:quantumblock →Molecular Orbital Analysis of BH3
