User contributions for Mh08
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10 November 2010
- 15:2815:28, 10 November 2010 diff hist +442 Rep:Mod:k4ofj4fker →Manual optimisation of "chair" transition state using frozen coordinate method
- 15:2515:25, 10 November 2010 diff hist 0 N File:Mh08 ts d.mol No edit summary current
- 14:5614:56, 10 November 2010 diff hist +1,104 Rep:Mod:k4ofj4fker →Manual optimisation of "chair" transition state using TS(Berny)
- 14:2914:29, 10 November 2010 diff hist +299 Rep:Mod:k4ofj4fker →Manual optimisation of "chair" transition state using TS(Berny)
- 14:1014:10, 10 November 2010 diff hist 0 N File:Mh08 ts b.mol No edit summary current
- 14:0614:06, 10 November 2010 diff hist +984 Rep:Mod:k4ofj4fker →Manual optimisation of chair transition state using TS (Berny)
- 13:3913:39, 10 November 2010 diff hist +34 Rep:Mod:k4ofj4fker →Optimisation of transition state fragment
- 12:5312:53, 10 November 2010 diff hist +563 Rep:Mod:k4ofj4fker →Manual optimisation of chair transition state using TS (Berny)
- 12:5212:52, 10 November 2010 diff hist 0 N File:Mh08 frag.png No edit summary current
- 12:3712:37, 10 November 2010 diff hist +264 Rep:Mod:k4ofj4fker →Manual optimisation of chair transition state using TS (Berny)
- 12:2212:22, 10 November 2010 diff hist 0 N File:Mh08 ts.png No edit summary current
- 12:2112:21, 10 November 2010 diff hist +67 Rep:Mod:k4ofj4fker →=
- 12:1912:19, 10 November 2010 diff hist +301 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 11:5011:50, 10 November 2010 diff hist +78 Rep:Mod:k4ofj4fker →The Cope Rearrangement
- 11:4411:44, 10 November 2010 diff hist +66 Rep:Mod:k4ofj4fker →Frequency analysis of anti2 conformer
- 11:4011:40, 10 November 2010 diff hist +1,154 Rep:Mod:k4ofj4fker →Frequency analysis of anti2 conformer
- 10:5910:59, 10 November 2010 diff hist 0 N File:Mh08 anti spec.png No edit summary current
- 10:5810:58, 10 November 2010 diff hist +293 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 10:5110:51, 10 November 2010 diff hist +87 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 10:4010:40, 10 November 2010 diff hist +1,145 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
9 November 2010
- 17:5417:54, 9 November 2010 diff hist +83 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 17:5217:52, 9 November 2010 diff hist 0 N File:Mh08 REACT ANTI C.mol No edit summary current
- 17:4917:49, 9 November 2010 diff hist +1,795 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 17:4217:42, 9 November 2010 diff hist 0 N File:Mh08 REACT ANTI DFT.mol No edit summary current
- 16:5816:58, 9 November 2010 diff hist 0 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 16:1316:13, 9 November 2010 diff hist +1,014 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 15:3715:37, 9 November 2010 diff hist +3 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 15:3215:32, 9 November 2010 diff hist 0 N File:Mh08 anti 2.png No edit summary current
- 15:3115:31, 9 November 2010 diff hist 0 N File:Mh08 anti 1.png No edit summary current
- 15:3115:31, 9 November 2010 diff hist +874 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 15:1315:13, 9 November 2010 diff hist +64 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 15:1115:11, 9 November 2010 diff hist +41 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 15:1015:10, 9 November 2010 diff hist +230 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 15:0315:03, 9 November 2010 diff hist 0 N File:Mh08 gauche.png No edit summary current
- 15:0315:03, 9 November 2010 diff hist 0 N File:Mh08 anti.png No edit summary current
- 14:5814:58, 9 November 2010 diff hist 0 N File:Mh08 REACT ANTI.mol No edit summary current
- 14:5714:57, 9 November 2010 diff hist +366 Rep:Mod:k4ofj4fker →Optimising the Reactants and Products
- 14:3014:30, 9 November 2010 diff hist +1,157 Rep:Mod:k4ofj4fker →The Cope Rearrangement
- 14:0714:07, 9 November 2010 diff hist +501 Rep:Mod:k4ofj4fker →Cope
4 November 2010
- 14:1514:15, 4 November 2010 diff hist +607 N Rep:Mod:k4ofj4fker New page: = Cope = Anti Energy - Point group - C2 Gauche Energy - Point group - C2 (g) <pre>Zero-point correction= 0.142491 (Hartree/Particle) Thermal correction to Ener...
2 November 2010
- 17:4417:44, 2 November 2010 diff hist +9 Rep:Mod:hdywn47d533 →Conclusion on miniproject
- 17:4417:44, 2 November 2010 diff hist +392 Rep:Mod:hdywn47d533 →MO diagram of Li(CN)<sub>2</sub>
- 17:3817:38, 2 November 2010 diff hist +54 Rep:Mod:hdywn47d533 →Comparison of relative energies of the cis and trans isomers
- 17:3517:35, 2 November 2010 diff hist +561 Rep:Mod:hdywn47d533 →IR analysis the metals
- 17:2217:22, 2 November 2010 diff hist +14 Rep:Mod:hdywn47d533 →IR analysis the metals
- 17:2217:22, 2 November 2010 diff hist 0 N File:Mh08 Cs.png No edit summary current
- 17:2117:21, 2 November 2010 diff hist +369 Rep:Mod:hdywn47d533 →IR analysis the metals
- 17:1217:12, 2 November 2010 diff hist 0 N File:Mh08 Rb.png No edit summary current
- 17:1217:12, 2 November 2010 diff hist 0 N File:Mh08 K.png No edit summary current
- 17:1217:12, 2 November 2010 diff hist 0 N File:Mh08 K 1.png No edit summary current