MeCaSDa and ECaSDa: Methane and ethene calculated spectroscopic databases for the virtual atomic and molecular data centre
Creators
- 1. Groupe de Spectrométrie Moléculaire et Atmosphérique (GSMA), CNRS UMR 7331, Université de Reims Champagne-Ardenne, U.F.R. Sciences Exactes et Naturelles, Moulin de la Housse B.P. 1039, 51687 Reims Cedex 2 (France)
- 2. Laboratoire Interdisciplinaire Carnot de Bourgogne (ICB), CNRS UMR 6303, Université de Bourgogne, 9 avenue A. Savary, BP 47870, 21078 DIJON Cedex (France)
- 3. Laboratoire de Physique Moléculaire pour l'Atmosphère et l'Astrophysique (LPMAA), CNRS/INP UMR 7092, Université Pierre et Marie Curie, Case 76, 4 Place Jussieu, 75252 Paris Cedex 05 (France)
Description
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. -- Highlights: • 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)
Availability note (English)
Available from http://dx.doi.org/10.1016/j.jqsrt.2013.05.001Additional details
Identifiers
- DOI
- 10.1016/j.jqsrt.2013.05.001;
- PII
- S0022-4073(13)00193-3;
Publishing Information
- Journal Title
- Journal of Quantitative Spectroscopy and Radiative Transfer
- Journal Volume
- 130
- Journal Page Range
- p. 62-68
- ISSN
- 0022-4073
- CODEN
- JQSRAE
Conference
- Title
- 12. international HITRAN conference
- Acronym
- HITRAN2012
- Dates
- 29-31 Aug 2012
- Place
- Reims (France)
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 45055430
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Resource subtype / Literary indicator
- Conference
- Descriptors DEI
- ABSORPTION; ATOMS; CARBON 12; CARBON 13; DATA BASE MANAGEMENT; DATA COMPILATION; ETHYLENE; GROUND STATES; METHANE; MOLECULES; NUCLEAR DATA COLLECTIONS; RAMAN EFFECT
- Descriptors DEC
- ALKANES; ALKENES; CARBON ISOTOPES; DATA; ENERGY LEVELS; EVEN-EVEN NUCLEI; EVEN-ODD NUCLEI; HYDROCARBONS; INFORMATION; ISOTOPES; LIGHT NUCLEI; MANAGEMENT; NUCLEI; ORGANIC COMPOUNDS; SORPTION; STABLE ISOTOPES
Optional Information
- Copyright
- Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.