کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5415956 1393787 2007 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Advanced graphical software for assignments of transitions in rovibrational spectra
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Advanced graphical software for assignments of transitions in rovibrational spectra
چکیده انگلیسی
We have developed advanced graphical software for significantly accelerated and verified assignments of rotationally resolved rovibrational molecular spectra. The program combines the traditional approach of Loomis-Wood diagrams, which are used to visualize spectral branches and facilitate their identification, with the power of interactive combination difference checking, which provides an immediate verification of correct assignments of quantum numbers to spectral lines. Assignment procedures and other tools of the program are designed in a fully graphical Windows environment to accelerate the usually tedious assignment work and make the use of the program highly intuitive. The use of an appropriate rovibrational Hamiltonian for fitting the assigned transitions is made easy by the flexible, user-programmed interfaces for exporting assigned data directly in the needed format and importing rovibrational energies back to the assignment program. The program is designed for the MS Windows operating systems and is available upon request with a full documentation on http://www.lww.amu.edu.pl.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Spectroscopy - Volume 243, Issue 2, June 2007, Pages 182-188
نویسندگان
, , , ,