The Infona portal uses cookies, i.e. strings of text saved by a browser on the user's device. The portal can access those files and use them to remember the user's data, such as their chosen settings (screen view, interface language, etc.), or their login data. By using the Infona portal the user accepts automatic saving and using this information for portal operation purposes. More information on the subject can be found in the Privacy Policy and Terms of Service. By closing this window the user confirms that they have read the information on cookie usage, and they accept the privacy policy and the way cookies are used by the portal. You can change the cookie settings in your browser.
A new dipole moment surface (DMS) for methyl chloride has been generated at the CCSD(T)/aug-cc-pVQZ(+d for Cl) level of theory. To represent the DMS, a symmetry-adapted analytic representation in terms of nine vibrational coordinates has been developed and implemented. Variational calculations of the infrared spectrum of CH3Cl show good agreement with a range of experimental results. This includes...
We describe a new, online interface to the HITRAN database that overcomes the many limitations of the existing, 160-character fixed-width, text based format (the “.par” files mostly distributed through an FTP site until now). The interface, called HITRANonline, accesses a relational database [JQSRT 2013:130, 57-61] in which the spectroscopic data are stored in a flexible, extensible and structured...
In this work we perform a systematic ab initio study of the dipole moment surface (DMS) of H 2 S at various levels of theory and of its effect on the intensities of vibration–rotation transitions; H 2 S intensities are known from the experiment to display anomalies which have so far been difficult to reproduce by theoretical calculations. We use the transition intensities from the...
A new format for the HITRAN database is proposed. By storing the line-transition data in a number of linked tables described by a relational database schema, it is possible to overcome the limitations of the existing format, which have become increasingly apparent over the last few years as new and more varied data are being used by radiative-transfer models. Although the database in the new format...
Set the date range to filter the displayed results. You can set a starting date, ending date or both. You can enter the dates manually or choose them from the calendar.