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User contributions for Alasoro

Results for Alasoro talk block log uploads logs

A user with 1,729 edits. Account created on 12 February 2009.

11:1511:15, 13 May 2009 diff hist +443 Let's try with a smaller cycle →Investigate the S1 potential energy surface
11:1411:14, 13 May 2009 diff hist +324 Let's try with a smaller cycle →Optimize the S1 minimum
11:1211:12, 13 May 2009 diff hist 0 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
11:0911:09, 13 May 2009 diff hist 0 Let's try with a smaller cycle No edit summary
11:0811:08, 13 May 2009 diff hist +546 Let's try with a smaller cycle →Calculate the S1 Frank-Condon vertical excitation energy
11:0611:06, 13 May 2009 diff hist +388 Let's try with a smaller cycle →Optimise the geometry of the ground state minimum
11:0511:05, 13 May 2009 diff hist +734 Let's try with a smaller cycle →Orbitals with CASSCF
10:5510:55, 13 May 2009 diff hist +136 Let's try with a smaller cycle →Introduction
10:5410:54, 13 May 2009 diff hist +519 Let's try with a smaller cycle →The orbitals
10:5210:52, 13 May 2009 diff hist +6 Let's try with a smaller cycle →Introduction
10:5210:52, 13 May 2009 diff hist +35 Let's try with a smaller cycle →Introduction
09:3609:36, 13 May 2009 diff hist 0 N File:Bicyclo min opt.jpg No edit summary current
09:3509:35, 13 May 2009 diff hist +32 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
09:2809:28, 13 May 2009 diff hist 0 N File:Bicyclo conic opt.jpg No edit summary current
09:2709:27, 13 May 2009 diff hist +33 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary

15:2715:27, 12 May 2009 diff hist +2 Let's try with a smaller cycle →Introduction
15:2615:26, 12 May 2009 diff hist 0 N File:Peticyclo opt min.jpg No edit summary current
15:2515:25, 12 May 2009 diff hist +38 Let's try with a smaller cycle →Introduction
15:1715:17, 12 May 2009 diff hist +211 ONIOM for excited states No edit summary
15:1715:17, 12 May 2009 diff hist +630 N Let's try with a smaller cycle New page: == Introduction == <p> Now try to run the same calculations with this new molecule : </p> == The orbitals == == Orbitals with CASSCF == == Optimise the geometry of the ground state mi...
15:1315:13, 12 May 2009 diff hist +211 ONIOM for crossings No edit summary
15:0615:06, 12 May 2009 diff hist −14 Introduction No edit summary
15:0515:05, 12 May 2009 diff hist +907 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
11:2711:27, 12 May 2009 diff hist −18 ONIOM for crossings No edit summary
11:2511:25, 12 May 2009 diff hist +176 ONIOM for crossings No edit summary
11:2411:24, 12 May 2009 diff hist +27 ONIOM for excited states No edit summary

16:1616:16, 11 May 2009 diff hist +4,312 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene →IOP keyword
15:1015:10, 11 May 2009 diff hist +19 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene →Investigate the S1 potential energy surface
12:1112:11, 11 May 2009 diff hist +39 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
12:1012:10, 11 May 2009 diff hist 0 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
12:0912:09, 11 May 2009 diff hist +2 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene →Investigate the S1 potential energy surface
12:0812:08, 11 May 2009 diff hist −27 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
12:0612:06, 11 May 2009 diff hist −12 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
12:0212:02, 11 May 2009 diff hist +3,603 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
11:5911:59, 11 May 2009 diff hist +223 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
11:5311:53, 11 May 2009 diff hist +81 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene →Optimize the S1 minimum
11:5011:50, 11 May 2009 diff hist +53 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene →Calculate the S1 Frank-Condon vertical excitation energy

15:0015:00, 8 May 2009 diff hist +577 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
12:0712:07, 8 May 2009 diff hist +271 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
12:0412:04, 8 May 2009 diff hist +221 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene →Investigate the S1 potential energy surface
12:0112:01, 8 May 2009 diff hist +172 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
11:5311:53, 8 May 2009 diff hist 0 N File:Oniom conical 2.log No edit summary current
11:5311:53, 8 May 2009 diff hist 0 N File:Oniom conical 1.log No edit summary current
11:5311:53, 8 May 2009 diff hist 0 N File:Oniom conical 2.gjf No edit summary current
11:5211:52, 8 May 2009 diff hist 0 N File:Oniom conical 1.gjf No edit summary current
11:5211:52, 8 May 2009 diff hist +169 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
11:1911:19, 8 May 2009 diff hist +3,848 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
11:0411:04, 8 May 2009 diff hist +14 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
10:5810:58, 8 May 2009 diff hist +183 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
10:5510:55, 8 May 2009 diff hist +188 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene →Investigate the S1 potential energy surface

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