User contributions for Alasoro

6 July 2009

• 13:3913:39, 6 July 2009 diff hist +64 AMBER No edit summary
• 13:3813:38, 6 July 2009 diff hist −214 AMBER No edit summary
• 13:3713:37, 6 July 2009 diff hist +59 AMBER No edit summary
• 13:3513:35, 6 July 2009 diff hist +151 AMBER No edit summary
• 13:3113:31, 6 July 2009 diff hist +3 AMBER No edit summary
• 13:0213:02, 6 July 2009 diff hist +1 AMBER No edit summary
• 13:0013:00, 6 July 2009 diff hist +580 AMBER No edit summary
• 12:5112:51, 6 July 2009 diff hist −1 AMBER No edit summary
• 12:5112:51, 6 July 2009 diff hist +1,434 N AMBER New page: This method is specially designed for treating large biomolecules. <h4>AMBER : a Molecular Mechanic's (MM) method</h4> <h5>Principle</h5> This method is the simplest and least computati...
• 12:4012:40, 6 July 2009 diff hist +10 ONIOM for biomolecules No edit summary
• 11:3711:37, 6 July 2009 diff hist +114 More explanations about Molecular Mechanics in Gaussian No edit summary current
• 09:1509:15, 6 July 2009 diff hist 0 More explanations about Molecular Mechanics in Gaussian No edit summary

3 July 2009

• 14:4514:45, 3 July 2009 diff hist +7 Why use different theories ? No edit summary current
• 14:4014:40, 3 July 2009 diff hist 0 How do you create a molecule ? No edit summary current

20 May 2009

• 08:4708:47, 20 May 2009 diff hist −21 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary

14 May 2009

• 11:4611:46, 14 May 2009 diff hist 0 N File:Peticyclo conic opt.jpg No edit summary current
• 11:4611:46, 14 May 2009 diff hist 0 N File:Peticyclo s1 opt.jpg No edit summary current
• 11:4511:45, 14 May 2009 diff hist +35 Let's try with a smaller cycle No edit summary
• 11:4511:45, 14 May 2009 diff hist +32 Let's try with a smaller cycle No edit summary
• 11:4411:44, 14 May 2009 diff hist +18 Let's try with a smaller cycle No edit summary
• 11:1011:10, 14 May 2009 diff hist +754 Let's try with a smaller cycle →Investigate the S1 potential energy surface
• 10:5010:50, 14 May 2009 diff hist −4 Let's try with a smaller cycle No edit summary
• 10:4710:47, 14 May 2009 diff hist +1,172 Let's try with a smaller cycle No edit summary
• 10:2610:26, 14 May 2009 diff hist +1 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
• 10:1810:18, 14 May 2009 diff hist −2 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
• 10:1610:16, 14 May 2009 diff hist +3,532 Let's try with a smaller cycle No edit summary
• 10:0710:07, 14 May 2009 diff hist +3,193 Let's try with a smaller cycle No edit summary
• 09:2109:21, 14 May 2009 diff hist +557 Let's try with a smaller cycle No edit summary
• 09:1009:10, 14 May 2009 diff hist +3,189 Let's try with a smaller cycle No edit summary
• 09:0409:04, 14 May 2009 diff hist 0 N File:Smallcycle s1 conical 2.log No edit summary current
• 09:0409:04, 14 May 2009 diff hist 0 N File:Smallcycle s1 conical 1.log No edit summary current
• 09:0309:03, 14 May 2009 diff hist +65 Let's try with a smaller cycle No edit summary
• 09:0209:02, 14 May 2009 diff hist 0 N File:Smallcycle s1 conical.gjf No edit summary current
• 08:5008:50, 14 May 2009 diff hist 0 N File:Smallcycle s1 min.log No edit summary current
• 08:5008:50, 14 May 2009 diff hist 0 N File:Smallcycle s1 min.gjf No edit summary current
• 08:4908:49, 14 May 2009 diff hist 0 N File:Smallcycle FC.log No edit summary current
• 08:4908:49, 14 May 2009 diff hist 0 N File:Smallcycle FC.gjf No edit summary current
• 08:4208:42, 14 May 2009 diff hist 0 N File:Smallcycle groundstate opt gdv.log No edit summary current
• 08:4108:41, 14 May 2009 diff hist 0 N File:Smallcycle groundstate opt gdv.gjf No edit summary current
• 08:4108:41, 14 May 2009 diff hist 0 N File:Smallcycle orbital casscf gdv.log No edit summary current
• 08:4008:40, 14 May 2009 diff hist 0 N File:Smallcycle orbital casscf gdv.gjf No edit summary current
• 08:4008:40, 14 May 2009 diff hist 0 N File:Smallcycle orbital gdv.log No edit summary current
• 08:4008:40, 14 May 2009 diff hist 0 N File:Smallcycle orbital gdv.gjf No edit summary current
• 08:3908:39, 14 May 2009 diff hist +309 Let's try with a smaller cycle No edit summary
• 08:3608:36, 14 May 2009 diff hist +96 Let's try with a smaller cycle No edit summary
• 08:3508:35, 14 May 2009 diff hist +82 Let's try with a smaller cycle No edit summary

13 May 2009

• 11:5711:57, 13 May 2009 diff hist 0 N File:Oniom s1 min.log No edit summary current
• 11:5711:57, 13 May 2009 diff hist 0 N File:Oniom s1 min.gjf No edit summary current
• 11:5611:56, 13 May 2009 diff hist −1 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary
• 11:5611:56, 13 May 2009 diff hist +61 First steps with ONIOM : excited state of Bicyclo(10,2,2)Hexadeca-1(15),12(16)13-triene No edit summary