User contributions for Ng611

7 June 2019

• 15:0215:02, 7 June 2019 diff hist +45 01354530estela →Report the activation energy for both reactions.
• 15:0115:01, 7 June 2019 diff hist +126 01354530estela →Reactive and unreactive trajectories
• 14:5514:55, 7 June 2019 diff hist +150 01354530estela →Dynamics from the transition state region
• 14:5314:53, 7 June 2019 diff hist −23 MRD:ck2917 →Question 9: current
• 14:5314:53, 7 June 2019 diff hist +132 MRD:ck2917 →Question 9:
• 14:5114:51, 7 June 2019 diff hist +189 MRD:ck2917 →Question 8:
• 14:4914:49, 7 June 2019 diff hist +81 MRD:ck2917 →Question 7:
• 14:4914:49, 7 June 2019 diff hist +384 MRD:ck2917 →Question 4:
• 14:4514:45, 7 June 2019 diff hist +396 MRD:ck2917 →Question 3:
• 14:3914:39, 7 June 2019 diff hist −32 Y2T301339518 No edit summary current
• 14:3714:37, 7 June 2019 diff hist +4 Y2T301339518 No edit summary
• 12:4512:45, 7 June 2019 diff hist +80 MRD:ck2917 →Question 2:
• 11:4911:49, 7 June 2019 diff hist +260 Rep:MOD:01381641 →MO 54
• 11:4611:46, 7 June 2019 diff hist +89 Rep:MOD:01381641 →Comparing C=O stretching frequencies
• 11:4411:44, 7 June 2019 diff hist +154 Rep:MOD:01381641 →Prediction
• 11:4111:41, 7 June 2019 diff hist 0 Rep:MOD:01381641 →Investigating Metal Carbonyl Complexes
• 11:3611:36, 7 June 2019 diff hist +104 Rep:MOD:01381641 →NI3
• 11:3611:36, 7 June 2019 diff hist +72 Rep:MOD:01381641 →Calculating Association Energy
• 11:3611:36, 7 June 2019 diff hist +154 Rep:MOD:01381641 →Calculating Association Energy
• 11:3411:34, 7 June 2019 diff hist +124 Rep:MOD:01381641 →Vibrational spectrum for BH3
• 11:2911:29, 7 June 2019 diff hist +270 Y2T301339518 →Optimisation of BH3 via 6-31G
• 11:2411:24, 7 June 2019 diff hist +125 Y2T301339518 →MO discussion of [Mn(CO)6]+
• 11:2311:23, 7 June 2019 diff hist +297 Y2T301339518 →The trends
• 11:1911:19, 7 June 2019 diff hist +92 Y2T301339518 →Optimisation
• 11:1811:18, 7 June 2019 diff hist +142 Y2T301339518 →Ammonia-Borane
• 11:1411:14, 7 June 2019 diff hist +80 Y2T301339518 →BH3 MO diagram
• 11:1311:13, 7 June 2019 diff hist +107 Y2T301339518 →IR activity of BH3
• 11:1211:12, 7 June 2019 diff hist +112 Y2T301339518 →Optimisation of BH3 via 6-31G
• 11:1011:10, 7 June 2019 diff hist +487 SA inorg comp →MOs of Cr-Complex current
• 11:0511:05, 7 June 2019 diff hist +80 SA inorg comp →Analysis
• 11:0411:04, 7 June 2019 diff hist +118 SA inorg comp →Analysis
• 10:5710:57, 7 June 2019 diff hist +316 SA inorg comp →Energies
• 10:5410:54, 7 June 2019 diff hist +149 SA inorg comp →NH3
• 10:5110:51, 7 June 2019 diff hist +165 SA inorg comp →MO Diagram of BH3

5 June 2019

• 20:4720:47, 5 June 2019 diff hist +166 MO:hm1017 →The five possible isomers current
• 20:4620:46, 5 June 2019 diff hist +187 MO:hm1017 →The energy of the isomers with (a) 2 bridging Br ions and (b) the isomer with trans terminal Br and bridging Cl ions
• 20:4420:44, 5 June 2019 diff hist +103 MO:hm1017 →NI3
• 20:4320:43, 5 June 2019 diff hist +251 MO:hm1017 →Association energies: Ammonia-Borane
• 20:4120:41, 5 June 2019 diff hist +130 MO:hm1017 →MOs for BH3
• 20:4020:40, 5 June 2019 diff hist +161 MO:hm1017 →Vibrational spectrum for BH3
• 20:3920:39, 5 June 2019 diff hist +137 MO:hm1017 →PP and basis sets
• 20:3720:37, 5 June 2019 diff hist +80 Y2complabhaien910 →Annotated MO Diagrams current
• 20:3520:35, 5 June 2019 diff hist +190 Y2complabhaien910 →Charge Distribution of [N(CH3)4]+
• 20:3320:33, 5 June 2019 diff hist +208 Y2complabhaien910 →Optimisation
• 20:3220:32, 5 June 2019 diff hist +85 Y2complabhaien910 →Calculations
• 20:3020:30, 5 June 2019 diff hist +396 Y2complabhaien910 →MO Diagram of Optimised BH3
• 20:2620:26, 5 June 2019 diff hist +166 Y2complabhaien910 →Vibrational Spectrum of Optimised BH3
• 20:2520:25, 5 June 2019 diff hist +152 ICL:zl4817 →Molecular Orbitals of the Conformer with Lowest Energy current
• 20:2420:24, 5 June 2019 diff hist −63 ICL:zl4817 →Comparison of Energy
• 20:2320:23, 5 June 2019 diff hist +157 ICL:zl4817 →Comparison of Energy