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User contributions for Sb807

Results for Sb807 talk block log uploads logs

A user with 1,296 edits. Account created on 17 November 2009.

16:4816:48, 16 December 2009 diff hist +6 Rep:Phys:sb807 →2.Computation of the Transition State geometry
16:4716:47, 16 December 2009 diff hist 0 N File:First transition state.png No edit summary current
16:4616:46, 16 December 2009 diff hist +72 Rep:Phys:sb807 →2.Computation of the Transition State geometry
16:4316:43, 16 December 2009 diff hist +571 Rep:Phys:sb807 →2.Computation of the Transition State geometry

17:3017:30, 15 December 2009 diff hist +120 Rep:Phys:sb807 →Building and optimising Cis-Butadiene
17:2917:29, 15 December 2009 diff hist +44 Rep:Phys:sb807 →Diels Alder Cycloaddition
17:0717:07, 15 December 2009 diff hist +29 Rep:Phys:sb807 →2e/f/g: Optimising the boat transition state
16:0216:02, 15 December 2009 diff hist +4 Rep:Phys:sb807 →2e: Optimising the boat transition state
15:0215:02, 15 December 2009 diff hist +167 Rep:Phys:sb807 →2e: Optimising the boat transition state
15:0115:01, 15 December 2009 diff hist +106 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
14:2914:29, 15 December 2009 diff hist +19 Rep:Phys:sb807 →2e: Optimising the boat transition state
14:2914:29, 15 December 2009 diff hist −6 Rep:Phys:sb807 →2e: Optimising the boat transition state
14:2914:29, 15 December 2009 diff hist 0 N File:Sb807 boat part2e failedjob.mol No edit summary current
14:2814:28, 15 December 2009 diff hist +259 Rep:Phys:sb807 →2e: Optimising the boat transition state
14:2714:27, 15 December 2009 diff hist +259 Rep:Phys:sb807 →2e: Optimising the boat transition state
14:2214:22, 15 December 2009 diff hist +268 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
13:3313:33, 15 December 2009 diff hist −56 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
13:3213:32, 15 December 2009 diff hist +5 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
13:3213:32, 15 December 2009 diff hist 0 N File:Sb807 part2d Chair TS OPT.mol No edit summary current
13:1513:15, 15 December 2009 diff hist 0 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
13:1413:14, 15 December 2009 diff hist +241 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
13:1413:14, 15 December 2009 diff hist +24 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
13:1013:10, 15 December 2009 diff hist −3 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
13:0913:09, 15 December 2009 diff hist +18 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
13:0813:08, 15 December 2009 diff hist 0 N File:Sb807 2 Chair TS OPT.mol No edit summary current
13:0113:01, 15 December 2009 diff hist +15 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
13:0013:00, 15 December 2009 diff hist 0 N File:Sb807 1 Chair TS opt freq 818cm-1.mol No edit summary current
13:0013:00, 15 December 2009 diff hist −48 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
12:5912:59, 15 December 2009 diff hist +59 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
12:4712:47, 15 December 2009 diff hist +720 Rep:Phys:sb807 →2b/c: Optimising the chair transition state
12:4512:45, 15 December 2009 diff hist +52 Rep:Phys:sb807 →2a: Building and optimising an allyl fragment

21:1521:15, 13 December 2009 diff hist +11 Rep:Phys:sb807 →1c/d/e: Predicting/finding the lowest energy confomer
21:1521:15, 13 December 2009 diff hist 0 N File:Mine2 image one.png No edit summary current
21:1421:14, 13 December 2009 diff hist +68 Rep:Phys:sb807 →1f: Further optimisation of the anti2 structure
21:1221:12, 13 December 2009 diff hist +15 Rep:Phys:sb807 →1f: Further optimisation of the anti2 structure
21:1121:11, 13 December 2009 diff hist +512 Rep:Phys:sb807 →1f: Further optimisation of the anti2 structure
21:0621:06, 13 December 2009 diff hist −4 Rep:Phys:sb807 →1f: Further optimisation of the anti2 structure
21:0621:06, 13 December 2009 diff hist 0 N File:Low optimised jmol.mol No edit summary current
21:0421:04, 13 December 2009 diff hist −2 Rep:Phys:sb807 →1f: Further optimisation of the anti2 structure
21:0321:03, 13 December 2009 diff hist 0 N File:High optimised jmol.mol No edit summary current
21:0221:02, 13 December 2009 diff hist 0 Rep:Phys:sb807 →1g: DFT/B3LYP(6-31G,d) Frequency analysis and more
21:0221:02, 13 December 2009 diff hist 0 Rep:Phys:sb807 →1g: DFT/B3LYP(6-31G,d) Frequency analysis and more
21:0121:01, 13 December 2009 diff hist +2 Rep:Phys:sb807 →1g: DFT/B3LYP(6-31G,d) Frequency analysis and more
21:0121:01, 13 December 2009 diff hist 0 N File:Anti2 IRspectrum.png No edit summary current
20:5520:55, 13 December 2009 diff hist +36 Rep:Phys:sb807 →1f: Further optimisation of the anti2 structure
20:5420:54, 13 December 2009 diff hist −2 Rep:Phys:sb807 →1g: DFT/B3LYP(6-31G,d) Frequency analysis and more
20:5420:54, 13 December 2009 diff hist +8 Rep:Phys:sb807 →1g: DFT/B3LYP(6-31G,d) Frequency analysis and more
20:5320:53, 13 December 2009 diff hist +54 Rep:Phys:sb807 →1g: DFT/B3LYP(6-31G,d) Frequency analysis and more
20:5220:52, 13 December 2009 diff hist +24 Rep:Phys:sb807 →1f: Further optimisation of the anti2 structure
20:5120:51, 13 December 2009 diff hist −1 Rep:Phys:sb807 →1f: Further optimisation of the anti2 structure

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