User contributions for Ng611
Appearance
5 June 2019
- 11:5611:56, 5 June 2019 diff hist +144 Rep:Mod:SDG01345038 →MO 12
- 11:5411:54, 5 June 2019 diff hist +205 Rep:Mod:SDG01345038 →MO 7
- 11:5011:50, 5 June 2019 diff hist +56 Rep:Mod:SDG01345038 →MO 10
- 11:4811:48, 5 June 2019 diff hist +502 Rep:Mod:SDG01345038 →MO 10
- 11:4311:43, 5 June 2019 diff hist +153 Rep:Mod:SDG01345038 →Molecular Orbital Analysis
- 11:4211:42, 5 June 2019 diff hist +195 Rep:Mod:SDG01345038 →Discussion
- 11:3711:37, 5 June 2019 diff hist +190 Rep:Mod:SDG01345038 →Determining the association energy of the N-B bond in H3NBH3
- 11:3411:34, 5 June 2019 diff hist +13 Rep:Mod:SDG01345038 →Determining the association energy of the N-B bond in H3NBH3
- 11:3411:34, 5 June 2019 diff hist +105 Rep:Mod:SDG01345038 →Determining the association energy of the N-B bond in H3NBH3
- 11:3111:31, 5 June 2019 diff hist +140 Rep:Mod:SDG01345038 →B3LYP/6-31G Level
- 11:3011:30, 5 June 2019 diff hist +501 CG1417InorganicComp →LCAO Analysis current
- 11:2311:23, 5 June 2019 diff hist +195 CG1417InorganicComp →Charge Distributions
- 11:2111:21, 5 June 2019 diff hist +50 CG1417InorganicComp →Charge Distributions
- 11:2011:20, 5 June 2019 diff hist +159 CG1417InorganicComp →Charge Distributions
- 11:1811:18, 5 June 2019 diff hist +109 CG1417InorganicComp →[NMe4]+ and [PMe4]+ Optimisation
- 11:1711:17, 5 June 2019 diff hist +80 CG1417InorganicComp →NI3
- 11:1711:17, 5 June 2019 diff hist +101 CG1417InorganicComp →NH3BH3
- 11:1611:16, 5 June 2019 diff hist +99 CG1417InorganicComp →NH3BH3
- 11:1111:11, 5 June 2019 diff hist +248 CG1417InorganicComp →NH3BH3
- 11:0811:08, 5 June 2019 diff hist +223 CG1417InorganicComp →BH3 Molecular Orbitals
- 11:0411:04, 5 June 2019 diff hist +161 CG1417InorganicComp →Optimisation of BH3
- 11:0311:03, 5 June 2019 diff hist +35 CG1417InorganicComp →Optimisation of BH3
- 11:0211:02, 5 June 2019 diff hist +292 CG1417InorganicComp →Optimisation of BH3
4 June 2019
- 15:5515:55, 4 June 2019 diff hist +92 Sg2317hf →Molecular orbitals current
- 15:5415:54, 4 June 2019 diff hist +202 Sg2317hf →Discussion
- 15:5315:53, 4 June 2019 diff hist +131 Sg2317hf →Questions to answer
- 15:5115:51, 4 June 2019 diff hist +126 Sg2317hf →Based on your energy calculation is the B-N bond weak, medium or strong? What comparison have you made to come to this conclusion?
- 15:4715:47, 4 June 2019 diff hist +349 Sg2317hf →Association energies calculations
- 15:4215:42, 4 June 2019 diff hist +214 Sg2317hf →Are there significant differences between the real and LCAO MOs?
- 15:3815:38, 4 June 2019 diff hist +92 Hg3117 inorganic No edit summary current
- 15:3615:36, 4 June 2019 diff hist +554 Hg3117 inorganic No edit summary
- 15:2515:25, 4 June 2019 diff hist +127 Hg3117 inorganic No edit summary
- 15:2415:24, 4 June 2019 diff hist +125 Hg3117 inorganic No edit summary
- 15:2315:23, 4 June 2019 diff hist +108 Hg3117 inorganic No edit summary
- 15:2215:22, 4 June 2019 diff hist +195 Hg3117 inorganic No edit summary
- 15:1915:19, 4 June 2019 diff hist +194 Hg3117 inorganic No edit summary
- 15:1815:18, 4 June 2019 diff hist +303 Hg3117 inorganic No edit summary
- 15:1415:14, 4 June 2019 diff hist +105 Hg3117 inorganic No edit summary
- 15:1315:13, 4 June 2019 diff hist +462 Rep:Mod:jc6116 →Visualisation of [N(CH3)4]+ MOs
- 15:1015:10, 4 June 2019 diff hist +1 Rep:Mod:jc6116 →Visualisation of [N(CH3)4]+ MOs
- 15:0815:08, 4 June 2019 diff hist +132 Rep:Mod:jc6116 →Comparison of Charge Distribution
- 15:0715:07, 4 June 2019 diff hist +80 Rep:Mod:jc6116 →Comparison of Charge Distribution
- 15:0515:05, 4 June 2019 diff hist +183 Rep:Mod:jc6116 →Association energies
- 15:0315:03, 4 June 2019 diff hist +290 Rep:Mod:jc6116 →LCAO MO of BH3
30 May 2019
- 19:0119:01, 30 May 2019 diff hist +295 MRD:afs17 →MRD Lab:afs17 current
- 18:5918:59, 30 May 2019 diff hist +545 MRD:afs17 →Polanyi's Empirical Rules
- 18:5418:54, 30 May 2019 diff hist +305 MRD:afs17 →Reaction Dynamics
- 18:5118:51, 30 May 2019 diff hist +80 MRD:afs17 →Report the activation energy for both reactions.
- 18:5018:50, 30 May 2019 diff hist +380 MRD:afs17 →State the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
- 18:4618:46, 30 May 2019 diff hist +409 MRD:afs17 →Trajectories from r1= rts