User contributions for Yc8512

27 January 2016

• 17:3117:31, 27 January 2016 diff hist 0 N File:Boat IRC 150 Frequency table.PNG No edit summary current
• 17:3017:30, 27 January 2016 diff hist 0 N File:BOAT IRC 150.LOG No edit summary current
• 17:0617:06, 27 January 2016 diff hist +1 Rep:Mod:ArielC →IRC analysis of optimised Chair transition structure
• 16:5816:58, 27 January 2016 diff hist 0 Rep:Mod:ArielC →d.IRC Analysis of both Boat and Chair transition structure
• 16:5716:57, 27 January 2016 diff hist +1 Rep:Mod:ArielC →IRC analysis of optimised Chair transition structure
• 16:5516:55, 27 January 2016 diff hist +129 Rep:Mod:ArielC →d.IRC Analysis of both Boat and Chair transition structure
• 16:5116:51, 27 January 2016 diff hist +1 Rep:Mod:ArielC →d.IRC Analysis of both Boat and Chair transition structure
• 16:5016:50, 27 January 2016 diff hist +95 Rep:Mod:ArielC →d.IRC Analysis of both Boat and Chair transition structure
• 16:4316:43, 27 January 2016 diff hist 0 N File:Energy and RMS Gradient of 150.PNG No edit summary current
• 16:3516:35, 27 January 2016 diff hist 0 File:QST2 anti2 (1).mol Yc8512 uploaded a new version of File:QST2 anti2 (1).mol current
• 16:3216:32, 27 January 2016 diff hist +499 Rep:Mod:ArielC →c.Optimization of Boat transition state at HF/3-21G level using QST2 method
• 16:2016:20, 27 January 2016 diff hist 0 N File:Ariel Image 10.png No edit summary current
• 16:1916:19, 27 January 2016 diff hist 0 N File:QS2(2) Screen shot.PNG No edit summary current
• 16:1416:14, 27 January 2016 diff hist +1 Rep:Mod:ArielC →c.Optimization of Boat transition state at HF/3-21G level using QST2 method
• 16:1416:14, 27 January 2016 diff hist +1 Rep:Mod:ArielC →c.Optimization of Boat transition state at HF/3-21G level using QST2 method
• 16:1316:13, 27 January 2016 diff hist +976 Rep:Mod:ArielC No edit summary
• 16:0016:00, 27 January 2016 diff hist 0 N File:QST2 anti2 (1).mol No edit summary
• 15:3415:34, 27 January 2016 diff hist 0 N File:QST2 anti2 screeshot.PNG No edit summary current
• 15:1915:19, 27 January 2016 diff hist −1 Rep:Mod:ArielC →1.Optimized structure of Gauche 1,5-Hexadiene
• 15:1815:18, 27 January 2016 diff hist −2 Rep:Mod:ArielC →4.File Link
• 15:1815:18, 27 January 2016 diff hist −3 Rep:Mod:ArielC →3.Real output
• 15:1815:18, 27 January 2016 diff hist −1 Rep:Mod:ArielC →2.General Information of Results
• 15:1715:17, 27 January 2016 diff hist −3 Rep:Mod:ArielC →1.Optimized structure of anti 1,5-Hexadiene
• 15:1615:16, 27 January 2016 diff hist +4,976 Rep:Mod:ArielC No edit summary
• 15:0415:04, 27 January 2016 diff hist 0 N File:F IRC minimum last point.gif No edit summary current
• 15:0315:03, 27 January 2016 diff hist 0 N File:F IRC minimum last poinT frequency table.PNG No edit summary current
• 15:0215:02, 27 January 2016 diff hist 0 N File:F IRC MINIMUM LAST POINT.LOG No edit summary current
• 14:5614:56, 27 January 2016 diff hist 0 N File:F IRC minimum last point.mol No edit summary current
• 14:4414:44, 27 January 2016 diff hist 0 N File:F IRC graph.PNG No edit summary current
• 14:1414:14, 27 January 2016 diff hist 0 N File:F IRC Frequency table.PNG No edit summary current
• 14:1214:12, 27 January 2016 diff hist 0 N File:F IRC.LOG No edit summary current
• 13:2913:29, 27 January 2016 diff hist 0 N File:QST anti2(2) frequency table.PNG No edit summary current
• 13:2813:28, 27 January 2016 diff hist 0 N File:QST2 ANTI2 (2).LOG No edit summary current
• 13:2713:27, 27 January 2016 diff hist 0 N File:QST2 anti2(2).gif No edit summary current
• 13:2013:20, 27 January 2016 diff hist 0 N File:QST2 anti2 (2).mol No edit summary current
• 13:1513:15, 27 January 2016 diff hist 0 N File:CHAIR TS (2).mol No edit summary current
• 13:1213:12, 27 January 2016 diff hist +451 Rep:Mod:ArielC →4.File Link
• 13:0313:03, 27 January 2016 diff hist +329 Rep:Mod:ArielC →3.Vibrational mode
• 13:0113:01, 27 January 2016 diff hist 0 N File:Chair TS(2) frequency IR SPECTRUM.PNG No edit summary current
• 13:0113:01, 27 January 2016 diff hist 0 N File:Chair TS(2) frequency table.PNG No edit summary current
• 12:5812:58, 27 January 2016 diff hist 0 N File:CHAIR TS (2).LOG No edit summary current
• 12:5712:57, 27 January 2016 diff hist +26 Rep:Mod:ArielC →3.Vibrational mode
• 12:5712:57, 27 January 2016 diff hist 0 N File:Chair ts (2).gif No edit summary current
• 12:5612:56, 27 January 2016 diff hist +531 Rep:Mod:ArielC →b.Optimization at HF/3-21G level using Frozen Coordinates method
• 12:4412:44, 27 January 2016 diff hist +610 Rep:Mod:ArielC →3.File Link
• 12:3312:33, 27 January 2016 diff hist +2,580 Rep:Mod:ArielC No edit summary
• 12:3212:32, 27 January 2016 diff hist 0 N File:Chair berny IR spetrum.PNG No edit summary current
• 12:3112:31, 27 January 2016 diff hist 0 N File:Chairs berny frequency table.PNG No edit summary current
• 12:2712:27, 27 January 2016 diff hist 0 N File:B OPTIMIZATION.LOG No edit summary current
• 12:1512:15, 27 January 2016 diff hist 0 N File:B.gif No edit summary current