کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5415772 | 1393775 | 2007 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
An automated branch-assignment algorithm for rovibrational spectra of asymmetric-top molecules
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موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: An automated branch-assignment algorithm for rovibrational spectra of asymmetric-top molecules An automated branch-assignment algorithm for rovibrational spectra of asymmetric-top molecules](/preview/png/5415772.png)
چکیده انگلیسی
There are several methods for isolating a P, Q, or R branch from the rest of the unassigned rovibrational spectrum of an asymmetric-top molecule. But at the moment, to our knowledge, once the branch has been isolated, there is no automated procedure for its assignment. Here, we present a simple semi-empirical algorithm which has proved successful in computer experiments on both S(CN)2 (a near prolate rotor) and C3H6O (a near oblate rotor.) The limits to the applicability of this method are discussed.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 246, Issue 1, November 2007, Pages 77-85
Journal: Journal of Molecular Spectroscopy - Volume 246, Issue 1, November 2007, Pages 77-85
نویسندگان
Giovanni Moruzzi,