کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5428616 1508685 2013 7 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
MeCaSDa and ECaSDa: Methane and ethene calculated spectroscopic databases for the virtual atomic and molecular data centre
موضوعات مرتبط
مهندسی و علوم پایه شیمی طیف سنجی
پیش نمایش صفحه اول مقاله
MeCaSDa and ECaSDa: Methane and ethene calculated spectroscopic databases for the virtual atomic and molecular data centre
چکیده انگلیسی


- We present two new spectroscopic databases, MeCaSDa and ECaSDa.
- They contain calculated line lists for methane and ethene, respectively.
- They collect data from accurate analyses previously preformed.
- They are included in the Virtual Atomic and Molecular Data Centre (VAMDC).

Two spectroscopic relational databases, denoted MeCaSDa and ECaSDa, have been implemented for methane and ethene, and included in VAMDC (Virtual Atomic and Molecular Data Centre, http://portal.vamdc.eu/vamdc_portal/home.seam). These databases collect calculated spectroscopic data from the accurate analyses previously performed for the electronic ground state of methane, ethene, and some of their isotopologues: 12CH4, 13CH4, and 12C2H4. Both infrared absorption and Raman scattering lines are included. The polyad structures are reported and the transitions are precisely described by their energy, their intensity and the full description of the lower and upper states involved in the transitions. The relational schemas of ECaSDa and MeCaSDa databases are equivalent and optimised to enable the better compromise between data retrieval and compatibility with the XSAMS (XML Schema for Atoms, Molecules, and Solids) format adopted within the VAMDC European project.

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Quantitative Spectroscopy and Radiative Transfer - Volume 130, November 2013, Pages 62-68
نویسندگان
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