tag:blogger.com,1999:blog-3599722177679860131.post8869548394358188089..comments2024-01-03T10:01:29.738+01:00Comments on Chemical Quantum Images: p-Cresole VibrationsFelixhttp://www.blogger.com/profile/05138335803929997277noreply@blogger.comBlogger6125tag:blogger.com,1999:blog-3599722177679860131.post-76626940949823271142007-06-04T13:24:00.000+01:002007-06-04T13:24:00.000+01:00cool, I'll give that a trydanke, der knöchel ...cool, I'll give that a try<BR/><BR/>danke, der knöchel ist schon ein bisschen besserFelixhttps://www.blogger.com/profile/05138335803929997277noreply@blogger.comtag:blogger.com,1999:blog-3599722177679860131.post-1899592639646079912007-06-04T01:26:00.000+01:002007-06-04T01:26:00.000+01:00Yes you can use it in the next 5 posts if you do i...Yes you can use it in the next 5 posts if you do it the right way ];) Since the new Bloger 2 offers wiggets to arrange the layout of the page just add a new "Page Element" in the template tab and choose "HTML/JavaScript" from the list. Add the jmolInitialize section in it and move your new Page Element before the post section so it will executed only once every time the page is loaded. Tada - it's Jmol time ]:D<BR/><BR/>PS. Gutte besserung mit den KnöchelLightnirhttps://www.blogger.com/profile/16789348893952913132noreply@blogger.comtag:blogger.com,1999:blog-3599722177679860131.post-75313212291519079582007-06-03T16:20:00.000+01:002007-06-03T16:20:00.000+01:00in the .js file I am using the alert is blocked ou...in the .js file I am using the alert is blocked out. the problem is that the browser just crashes without saying why. debugging is no fun if you don't get an error messageFelixhttps://www.blogger.com/profile/05138335803929997277noreply@blogger.comtag:blogger.com,1999:blog-3599722177679860131.post-62204818183632184022007-06-03T11:08:00.000+01:002007-06-03T11:08:00.000+01:00Just been lookng at Jmol.js. Why not test the valu...Just been lookng at Jmol.js. Why not test the value of _jmol.initialized (see line 35 or so), and if it's already set, don't call jmolInitialize. Alternatively, just remove the 'alert' at line 36 and that will stop the warning popping up (I don't know why they didn't' just write a warning to the Javascript console instead of a popup).Noel O'Boylehttps://www.blogger.com/profile/03288289351940689018noreply@blogger.comtag:blogger.com,1999:blog-3599722177679860131.post-6158794730870639402007-06-03T08:46:00.000+01:002007-06-03T08:46:00.000+01:00jmol is kind of a pain to use in a blog because yo...jmol is kind of a pain to use in a blog because you can't have two jmolInitialize commands at the same page. so I can't really use it again for the next 5 posts. but it is just such a nice programFelixhttps://www.blogger.com/profile/05138335803929997277noreply@blogger.comtag:blogger.com,1999:blog-3599722177679860131.post-46073158115194016002007-06-02T22:35:00.000+01:002007-06-02T22:35:00.000+01:00That's pretty cool - I didn't realise that you cou...That's pretty cool - I didn't realise that you could get Jmol into a blog.<BR/><BR/>Typically, even at the HF limit (i.e. infinite basis set), calculated frequencies are too high compared to experiment. This is apparently because the calculations assume that the vibration is harmonic, whereas in reality it is not, but it's a good approximation.Noel O'Boylehttps://www.blogger.com/profile/03288289351940689018noreply@blogger.com