Molecular spectroscopy Molecular spectroscopy
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Report 2002


There has been completed a design of the information-computational system “SPECTRA” (version 2.0) on the basis of the object-oriented approach. A new toolkit has been developed to create a dynamic site. A typical structure of a dynamic site has been worked out as well as the software (core) to support it. There is now a model of a subject domain and created on its basis the structure of a subject database, and a set of the PHP classes for data handling. Metadata description is prepared by means of the RDF-scheme. ISC is carried out as a site available in the Internet (http://spectra.iao.ru).
Version 2.0 provides additional potential, namely, comparison of the user’s personal data with the verified spectra and the interface to solve forward spectroscopic problems.
The absorption spectra database is expanded with the new data received at the analysis of the experimental absorption spectra of H2S (in the region of 4000-11000 cm-1) and water vapors (8000-16000 cm-1) as well as the design spectrum of six species of a water molecule (within the region of 0-25000 cm-1). The calculation is performed by the project participants on the basis of the data available in literature.