کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9770195 1501941 2005 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
The use of CAAARS (Computer Aided Assignment of Asymmetric Rotor Spectra) in the analysis of rotational spectra
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آلی
پیش نمایش صفحه اول مقاله
The use of CAAARS (Computer Aided Assignment of Asymmetric Rotor Spectra) in the analysis of rotational spectra
چکیده انگلیسی
The approach presented for the assignment of rovibrational spectra, CAAARS (Computer Aided Assignment of Asymmetric Rotor Spectra), provides an integrated suite of computer programs to simplify and speed up spectral analysis. CAAARS combines visual, interactive, mouse-assisted line assignment with real-time fitting of the assigned transitions to the spectroscopic constants of an appropriate rovibrational Hamiltonian. The ease of operation and flexibility in the choice of an appropriate theoretical model make it a powerful tool in the hands of a spectroscopist. Its advanced user interface, capable of displaying multiple traces of the experimental spectrum for unambiguous line identification, is a logical extension of the Loomis-Wood approach to line assignment. CAAARS implements user-specified sorting to select subsets of the predicted transitions for transparent assignment and manipulation. The current version of CAAARS is available for downloading at http://www.physics.ohio-state.edu/~medvedev/caaars.htm.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure - Volume 742, Issues 1–3, 24 May 2005, Pages 229-236
نویسندگان
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