User contributions for Sg2317

21 May 2019

• 15:3015:30, 21 May 2019 diff hist 0 N File:Sg2317 nh3 321g opt.png No edit summary current
• 15:2815:28, 21 May 2019 diff hist +6 Sg2317hf →Association Energies: NH3
• 15:2815:28, 21 May 2019 diff hist +33 Sg2317hf →Association Energies: NH3
• 15:2615:26, 21 May 2019 diff hist +177 Sg2317hf →BH3 MO analysis
• 14:5714:57, 21 May 2019 diff hist +32 Sg2317hf →What does this say about the accuracy and usefulness of qualitative MO theory?
• 14:5514:55, 21 May 2019 diff hist +107 Sg2317hf →What does this say about the accuracy and usefulness of qualitative MO theory?
• 14:5314:53, 21 May 2019 diff hist 0 N File:Eqsg2317.png No edit summary current
• 14:5314:53, 21 May 2019 diff hist −8 Sg2317hf →What does this say about the accuracy and usefulness of qualitative MO theory?
• 14:5214:52, 21 May 2019 diff hist 0 N File:Equationsg2317.png No edit summary current
• 14:5214:52, 21 May 2019 diff hist +389 Sg2317hf →BH3 MO analysis
• 14:4214:42, 21 May 2019 diff hist +157 Sg2317hf →BH3 MO analysis
• 14:4014:40, 21 May 2019 diff hist +93 Sg2317hf →BH3 MO analysis
• 14:3914:39, 21 May 2019 diff hist −7 Sg2317hf →Are there significant differences between the real and LCAO MOs?
• 14:3914:39, 21 May 2019 diff hist +505 Sg2317hf →BH3 MO analysis
• 14:2314:23, 21 May 2019 diff hist +145 Sg2317hf →BH3 MO analysis
• 14:2114:21, 21 May 2019 diff hist 0 N File:SIM MO.png No edit summary current
• 14:2114:21, 21 May 2019 diff hist +20 Sg2317hf →BH3 MO analysis
• 14:2014:20, 21 May 2019 diff hist +21 Sg2317hf →BH3 frequency analysis
• 14:2014:20, 21 May 2019 diff hist −9 Sg2317hf →BH3 frequency and MOs summary
• 14:2014:20, 21 May 2019 diff hist −23 Sg2317hf →BH3 with D3h symmetry and frequency analysis
• 13:2713:27, 21 May 2019 diff hist 0 N File:SG2317 BH3 opt 1.log No edit summary current
• 13:2713:27, 21 May 2019 diff hist +2 Sg2317hf →Link to log file
• 13:2613:26, 21 May 2019 diff hist −14 Sg2317hf →Item section of output
• 13:2513:25, 21 May 2019 diff hist 0 N File:Sg2317 bh3 3.png No edit summary current
• 13:2513:25, 21 May 2019 diff hist −4 Sg2317hf →Summary
• 13:1313:13, 21 May 2019 diff hist +3,434 N Sg2317hf Created page with "==BH3 optimisation: B3LYP/3-21G level== ===Summary=== 300px ===Item section of output=== <pre> Item Value Threshold..."
• 12:5812:58, 21 May 2019 diff hist +1 180519hf →BH3 with D3h symmetry and frequency analysis current
• 12:5712:57, 21 May 2019 diff hist +20 180519hf →BH3 with D3h symmetry
• 12:5612:56, 21 May 2019 diff hist 0 180519hf →Vibrational spectrum for NH3
• 12:5012:50, 21 May 2019 diff hist +15 180519hf →Vibrational spectrum for NH3
• 12:4712:47, 21 May 2019 diff hist +428 180519hf →BH3 optimisation: 3-21G/6-31G(d,p) level
• 12:3912:39, 21 May 2019 diff hist 0 180519hf →IR spectrum or BH3
• 12:3912:39, 21 May 2019 diff hist 0 N File:Sg2317 bh3 ir.png No edit summary current
• 12:3912:39, 21 May 2019 diff hist +59 180519hf No edit summary
• 12:1612:16, 21 May 2019 diff hist +2 180519hf →Item section of output
• 12:1612:16, 21 May 2019 diff hist +12 180519hf →Item section of output
• 12:1512:15, 21 May 2019 diff hist 0 N File:SG2317 BH3 SYNSIM OPY.log No edit summary current
• 12:1512:15, 21 May 2019 diff hist +101 180519hf →BH3 optimisation: 3-21G/6-31G(d,p) level
• 12:1012:10, 21 May 2019 diff hist 0 N File:SG2317 BH3 OPT.log No edit summary current
• 12:1012:10, 21 May 2019 diff hist −8 180519hf →Link to log file
• 12:0512:05, 21 May 2019 diff hist 0 N File:SG2317 BH3 SYM OPT D3H.log No edit summary current
• 12:0512:05, 21 May 2019 diff hist +76 180519hf →Link to log file
• 12:0412:04, 21 May 2019 diff hist +26 180519hf →BH3 optimisation: 3-21G/6-31G(d,p) level
• 12:0412:04, 21 May 2019 diff hist +1 180519hf →Link to log file
• 12:0212:02, 21 May 2019 diff hist 0 N File:SG2317 BH3 OPY.log No edit summary current
• 12:0112:01, 21 May 2019 diff hist +69 180519hf →Link to log file
• 12:0012:00, 21 May 2019 diff hist 0 N File:SG2317 BH3 OPT.LOG No edit summary
• 11:5911:59, 21 May 2019 diff hist +24 180519hf →BH3 optimisation: B3LYP/3-21G level
• 11:5711:57, 21 May 2019 diff hist +6 180519hf →BH3 optimisation: 3-21G/6-31G(d,p)
• 11:5611:56, 21 May 2019 diff hist +7 180519hf →BH3 optimisation: 6-31G(d,p)