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User contributions for Crina

Results for Crina talk block log uploads logs

A user with 663 edits. Account created on 11 November 2013.

22:1122:11, 25 December 2014 diff hist +44 ChargeCalculator:FAQ →After uploading my molecule, I got a warning about "unknown chemical element names". How will it affect my calculation?
22:1022:10, 25 December 2014 diff hist +1,230 ChargeCalculator:FAQ →After uploading my molecule, I got a warning about "unknown chemical element names". How will it affect my calculation?
21:5621:56, 25 December 2014 diff hist +2,452 ChargeCalculator:FAQ →I am getting an error about unknown chemical elements.
21:5621:56, 25 December 2014 diff hist +25 ChargeCalculator:FAQ →After uploading my molecule, I got a warning about "unknown chemical element names". How will it affect my calculation?
21:1821:18, 25 December 2014 diff hist +49 ChargeCalculator:FAQ →After uploading my molecule, I got a warning about "unknown chemical element names". How will it affect my calculation?
20:5920:59, 25 December 2014 diff hist −5 ChargeCalculator:FAQ →After uploading my molecule, I got a warning about "unknown chemical element names". How will it affect my calculation?
20:5520:55, 25 December 2014 diff hist +3,156 ChargeCalculator:FAQ →After uploading my molecule, I am getting a warning about atoms types with missing parameters.
19:5419:54, 25 December 2014 diff hist +29 ChargeCalculator:FAQ →I am getting a warning about atoms types with missing parameters.
17:5517:55, 25 December 2014 diff hist +950 ChargeCalculator:FAQ →I have more NMR models, how can I upload all?
17:3917:39, 25 December 2014 diff hist +1,387 ChargeCalculator:FAQ →What is the physical meaning of atomic charges?
15:2115:21, 25 December 2014 diff hist +1,158 ChargeCalculator:Motivation →Molecular Mechanics simulations
14:1614:16, 25 December 2014 diff hist +1,565 ChargeCalculator:Motivation No edit summary
13:3513:35, 25 December 2014 diff hist +248 ChargeCalculator:Motivation →Docking
04:4704:47, 25 December 2014 diff hist −10 ChargeCalculator:Motivation No edit summary
04:4604:46, 25 December 2014 diff hist +35 ChargeCalculator:Motivation No edit summary
04:4304:43, 25 December 2014 diff hist +1,115 ChargeCalculator:Motivation →Generating molecular conformations
04:1404:14, 25 December 2014 diff hist +18 ChargeCalculator:Motivation →Studying the transition between two states
04:1004:10, 25 December 2014 diff hist −14 ChargeCalculator:Motivation →Understanding chemical reactivity
04:1004:10, 25 December 2014 diff hist +3 ChargeCalculator:Motivation →Understand chemical reactivity
04:0904:09, 25 December 2014 diff hist +767 ChargeCalculator:Motivation →Quantitative Structure-Property Relationships modelling
03:3403:34, 25 December 2014 diff hist +505 ChargeCalculator:Motivation →Analyze charge transfer pathways
03:1003:10, 25 December 2014 diff hist +84 ChargeCalculator:Motivation →Understand chemical reactivity
02:3102:31, 25 December 2014 diff hist +924 ChargeCalculator:Motivation →Understand and predict reactivity
01:4101:41, 25 December 2014 diff hist +169 ChargeCalculator:FAQ No edit summary

20:4620:46, 24 December 2014 diff hist +1,362 ChargeCalculator:Motivation No edit summary
19:3419:34, 24 December 2014 diff hist +272 ChargeCalculator:Motivation No edit summary
19:2919:29, 24 December 2014 diff hist +138 ChargeCalculator:Job submission →Pick EEM parameters
19:2419:24, 24 December 2014 diff hist +414 ChargeCalculator:Index →EEM parameter set
19:2019:20, 24 December 2014 diff hist +1,302 ChargeCalculator:Motivation No edit summary
18:3318:33, 24 December 2014 diff hist +87 ChargeCalculator:Motivation No edit summary
18:3318:33, 24 December 2014 diff hist +145 ChargeCalculator:FAQ No edit summary
07:1307:13, 24 December 2014 diff hist +52 ChargeCalculator:FAQ No edit summary
07:0407:04, 24 December 2014 diff hist +315 ChargeCalculator:FAQ No edit summary
07:0207:02, 24 December 2014 diff hist +1,133 ChargeCalculator:FAQ No edit summary
06:5406:54, 24 December 2014 diff hist +166 ChargeCalculator:Motivation No edit summary
06:5306:53, 24 December 2014 diff hist +237 ChargeCalculator:Motivation No edit summary
06:4906:49, 24 December 2014 diff hist +45 ChargeCalculator:Case studies →Paracetamol
06:3806:38, 24 December 2014 diff hist +38 ChargeCalculator:Job submission →Upload molecules

20:3920:39, 20 December 2014 diff hist +218 ChargeCalculator:Technical details →Requirements
01:3001:30, 20 December 2014 diff hist +11 N ChargeCalculator:FAQ Created page with "Why oh why?"
01:3001:30, 20 December 2014 diff hist +65 ChargeCalculator:UserManual No edit summary
00:5600:56, 20 December 2014 diff hist +11 N ChargeCalculator:Motivation Created page with "Bla Bla Bla"
00:5500:55, 20 December 2014 diff hist +74 ChargeCalculator:UserManual No edit summary
00:3700:37, 20 December 2014 diff hist +117 ChargeCalculator:Job submission →Upload molecules

17:1517:15, 19 December 2014 diff hist −510 ChargeCalculator:Index →3D Model tab
17:1117:11, 19 December 2014 diff hist +950 ChargeCalculator:Index →3D Model tab
17:0817:08, 19 December 2014 diff hist +340 ChargeCalculator:Index →Compare tab
17:0417:04, 19 December 2014 diff hist +12 ChargeCalculator:Index →Analyze tab
17:0317:03, 19 December 2014 diff hist +169 ChargeCalculator:Index →Analyze tab
17:0117:01, 19 December 2014 diff hist +129 ChargeCalculator:Index →Analyze tab

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