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User contributions for Mh2710

Results for Mh2710 talk block log uploads logs

A user with 781 edits. Account created on 7 October 2010.

21:2721:27, 12 March 2013 diff hist 0 N File:Mh-chair-IRC.LOG No edit summary current
21:1721:17, 12 March 2013 diff hist −236 Rep:Mod:mh2710tata2 →IRC analysis of optimised chair transition state
20:5020:50, 12 March 2013 diff hist −10,246 Rep:Mod:mh2710tata2 →(c) Optimisation of chair transition state using frozen coordinate method
20:4920:49, 12 March 2013 diff hist −10,246 Rep:Mod:mh2710tata2 →(b) Optimisation of chair transition state by computing force constants
20:4920:49, 12 March 2013 diff hist −2,538 Rep:Mod:mh2710tata2 →(a) Optimisation of allyl fragment
20:4920:49, 12 March 2013 diff hist −6,147 Rep:Mod:mh2710tata2 →(f) Reoptimisation of anti2 conformer using B3LYP/6-31G(d)
20:4820:48, 12 March 2013 diff hist −6,146 Rep:Mod:mh2710tata2 →(e) Optimisation of anti2 conformer using HF/3-21G
20:4820:48, 12 March 2013 diff hist −6,146 Rep:Mod:mh2710tata2 →(b) Optimisation of 1,5-hexadiene with an "gauche" central linkage
20:4820:48, 12 March 2013 diff hist −6,146 Rep:Mod:mh2710tata2 →(a) Optimisation of 1,5-hexadiene with an "anti" central linkage
20:0920:09, 12 March 2013 diff hist +2,154 Rep:Mod:mh2710tata2 →IRC analysis of optimised chair transition state
19:1419:14, 12 March 2013 diff hist +135 Rep:Mod:mh2710tata2 →Optimising the "Chair" and "Boat" Transition Structures
19:1319:13, 12 March 2013 diff hist +25 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
19:1219:12, 12 March 2013 diff hist +16 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
19:1119:11, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-transition2.gif No edit summary current
19:1119:11, 12 March 2013 diff hist −66 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
19:0619:06, 12 March 2013 diff hist +42 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
19:0119:01, 12 March 2013 diff hist −89 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:5918:59, 12 March 2013 diff hist 0 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:5818:58, 12 March 2013 diff hist −37 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:5718:57, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-product2.PNG No edit summary current
18:5718:57, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-reactant2.PNG No edit summary current
18:5218:52, 12 March 2013 diff hist 0 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:5218:52, 12 March 2013 diff hist +268 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:5018:50, 12 March 2013 diff hist +3 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:4918:49, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-transition.gif No edit summary current
18:4818:48, 12 March 2013 diff hist +161 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:4618:46, 12 March 2013 diff hist −6 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:4518:45, 12 March 2013 diff hist +6 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:4318:43, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-opti-freq.gif No edit summary current
18:3718:37, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-opti-freq-vibfreq.PNG No edit summary current
18:3318:33, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-opti-freq-pointgroup.PNG No edit summary current
18:3118:31, 12 March 2013 diff hist +7,915 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:2218:22, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-opti-freq-sum.PNG No edit summary current
18:2118:21, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-opti-freq.LOG No edit summary current
18:2018:20, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-opti-freq.PNG No edit summary current
18:1718:17, 12 March 2013 diff hist −8,064 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:1218:12, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-product1.PNG No edit summary current
18:1118:11, 12 March 2013 diff hist 0 N File:Mh-hexadiene-boat-reactant1.PNG No edit summary current
18:1118:11, 12 March 2013 diff hist +1 Rep:Mod:mh2710tata2 →First optimisation from optimised anti2 1,5-hexadiene
18:1118:11, 12 March 2013 diff hist +257 Rep:Mod:mh2710tata2 →Second optimisation from modified reactant and product
18:0918:09, 12 March 2013 diff hist −12 Rep:Mod:mh2710tata2 →First optimisation from optimised anti2 1,5-hexadiene
18:0918:09, 12 March 2013 diff hist +274 Rep:Mod:mh2710tata2 →First optimisation from optimised anti2 1,5-hexadiene
18:0618:06, 12 March 2013 diff hist +10,836 Rep:Mod:mh2710tata2 →(e) Optimisation of boat transition state using QST2 method
18:0518:05, 12 March 2013 diff hist −879 Rep:Mod:mh2710tata2 →First optimisation from optimised anti2 1,5-hexadiene
16:5716:57, 12 March 2013 diff hist +1,254 Rep:Mod:mh2710tata2 →First optimisation from optimised anti2 1,5-hexadiene
16:3116:31, 12 March 2013 diff hist +23,413 Rep:Mod:mh2710tata2 →Optimising the "Chair" and "Boat" Transition Structures
16:3016:30, 12 March 2013 diff hist 0 N File:Mh-allyl-chair-fro-coordi-opti-pointgroup.PNG No edit summary current
16:2816:28, 12 March 2013 diff hist +10,639 Rep:Mod:mh2710tata2 →(c) Optimisation of chair transition state using frozen coordinate method
16:2616:26, 12 March 2013 diff hist 0 N File:Mh-allyl-chair-fro-coordi-opti-sum.PNG No edit summary current
16:2616:26, 12 March 2013 diff hist 0 N File:Mh-allyl-chair-fro-coordi-opti.LOG No edit summary current

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