new [CDMS classic documentation]

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====== What's new? ======

[[archive|And what is not quite so new anymore?]]

The database is described in
<alert type="info">
H. S. P. Müller, F. Schlöder, J. Stutzki, and G. Winnewisser, J. Mol. Struct. 742, 215–227 (2005)
</alert>
and in
<alert type="Info">
H. S. P. Müller, S. Thorwirth, D. A. Roth, and G. Winnewisser, Astronomy and Astrophysics 370, L49–L52 (2001).
</alert>
Please acknowledge use of the CDMS by citing these article. You are very welcome to state the web
address also. We recommend to cite the original sources of the data too, which are given in the
documentations, at least as far as this is feasible.
===== Recent Catalog Entries =====

[[archive#less_recent_catalog_entries|Earlier Catalog Entries]]

  * May 2024: 3-hydroxypropenal.
  * Apr. 2024: HCCNC; DCCNC; HCCN<sup>13</sup>C; HC<sup>13</sup>CNC; H<sup>13</sup>CCNC; HCC<sup>15</sup>NC; DNC<sub>3</sub>; HNCC<sup>13</sup>C; HNC<sup>13</sup>CC; HN<sup>13</sup>CCC; //cis//-HSNO; //trans//-HSNO.
  * Feb. 2024: HNSiO; HPCO; HSiCCH; H<sub>2</sub>C<sub>3</sub>Si; H<sub>2</sub>C<sub>4</sub>Si; HCNH<sup>+</sup>.
  * Jan. 2024: HNSO; H<sub>2</sub>NC<sub>3</sub>N; E-2-butenenitrile; //syn//-3-butenenitrile; //gauche//-3-butenenitrile.
  * Dec. 2023: D<sub>2</sub>CS; C<sub>6</sub>H, //v// = 0; C<sub>6</sub>H, //v//<sub>11</sub> = 1 //μ//Σ; C<sub>6</sub>H, //v//<sub>11</sub> = 1 Δ; isobutene.
  * Nov. 2023: CD<sub>3</sub>OD, //v//<sub>t</sub> = 0; CD<sub>3</sub>OD, //v//<sub>t</sub> = 1; SO<sup>18</sup>O; CH<sub>3</sub>C(NH)CH<sub>3</sub>; //trans//-HONO; //cis//-HONO.
  * Oct. 2023: H<sub>2</sub>CS, //v//<sub>4</sub> = 1; H<sub>2</sub>CS, //v//<sub>6</sub> = 1; H<sub>2</sub>CS, //v//<sub>3</sub> = 1; H<sub>2</sub>CS, //v//<sub>2</sub> = 1; H<sub>2</sub>CS, //υ//<sub>4</sub> IR band; H<sub>2</sub>CS, //υ//<sub>6</sub> IR band; H<sub>2</sub>CS, //υ//<sub>3</sub> IR band; H<sub>2</sub>CS, //υ//<sub>2</sub> IR band; allylimine-Ta; H<sub>2</sub>C<sub>2</sub>S; CN<sup>+</sup>, //v// = 0; CN<sup>+</sup>, //v// = 1 − 0.
  * Sep. 2023: C<sub>10</sub>H<sup>−</sup>; SiCl<sup>+</sup>, //v// = 0, 1; CHD<sub>2</sub>CHO, //v//<sub>t</sub> = 0; //c//-C<sub>3</sub>H<sub>2</sub>D<sup>+</sup>; extended CHD<sub>2</sub>OH entry in frequency.
  * Aug. 2023: H<sub>2</sub>C<sub>3</sub>H<sup>+</sup>; SiF<sup>+</sup>, //v// = 0, 1; SiF<sup>+</sup>, //v// = 1 − 0, 2 − 1; SiF<sup>+</sup>, //v// = 2 − 0; <sup>29</sup>SiF<sup>+</sup>, //v// = 0; <sup>30</sup>SiF<sup>+</sup>, //v// = 0.
  * Jul. 2023: NO<sup>+</sup>, //v// = 0, 1; NO<sup>+</sup>, //v// = 1 − 0, 2 − 1; NO<sup>+</sup>, //v// = 2 − 0; HC<sub>3</sub>O<sup>+</sup>.

===== General Section and General Remarks =====

  * Nov. 2023: The information on the meaning of lower case characters as quantum numbers was misleading and has been rephrased. The term //g//<sub>I</sub> was missing in several "useful equations" because it was assumed to be 1 initially. 
  * Mar. 2019: The program of the VAMDC-CDMS was updated. The Classic or ascii-CDMS was moved to this server. Links have been corrected and should work, but a detailed check is pending. The coding of special characters has been adjusted.
  * Nov. 2009: added note in the link which explains the aggregate spin number.

===== Catalog Search Form =====

[[archive#catalog_search_form|Archive "Catalog Search Form"]]

  * Nov. 2021: A new group was defined: Other hydrocarbons, that are hydrocarbons different from the carbon chain species C<sub>n</sub>H and C<sub>n</sub>H<sub>2</sub>, but including isotopologs.

===== Partition Functions =====

  * Apr. 2010: started to add values at 2.725 and 5 K for some species. The log values are also displayed in the partition function table.

===== Molecules in Space =====

[[archive#molecules_in_space|Archive "Molecules in Space"]]

  * May. 2024: added CaC<sub>2</sub> with documentation.
  * Apr. 2024: added thioxyhydroxymethylium, thionylimide, and methoxyethanol with documentations; updated HCCNC, HNC<sub>3</sub>, and HNCS documentations.
  * Mar. 2024: added extragalactic protonated acetylene with documentation; updated H<sub>2</sub>O documentation.
  * Feb. 2024: added HCNS with documentation. Updated HNCS, HSCN, HNCO, and HCNO documentations.
  * Jan. 2024: updated SiC<sub>2</sub> documentation. The 2-butenenitrile species are counted as two because mutual conversion requires breaking of a (double) bond, hence, the E- and Z-species are different isomers, not conformers. 
  * Dec. 2023: added isobutene with documentation.
  * Nov. 2023: added FeC with documentation.
  * Sep. 2023: added methylium and ethynylbenzene with documentation; updated C<sub>10</sub>H<sup>−</sup>, methylamine, and methyl isocyanide.
  * Aug. 2023: added H<sub>2</sub>C<sub>3</sub>N, carbonic acid, and glycolamide with documentations.
  * Jul. 2023: added //E//-CH<sub>2</sub>(CH)<sub>3</sub>CN and H<sub>2</sub>C<sub>3</sub>H<sup>+</sup> with documentations.

===== Fitting Spectra =====

[[archive#fitting_spectra|Archive "Fitting Spectra"]]

  * May 2024: added 3-hydroxypropenal data.
  * Dec. 2020: added aminoacetonitrile example.
  * Nov. 2020: added hydroxymethyl data.

===== Cologne Spectroscopy Data =====

[[archive#cologne_spectroscopy_data|Archive "Cologne Spectroscopy Data"]]

  * Jan. 2024: isobutene files are complete.
  * Sep. 2023: added new H<sub>2</sub>CS files with H<sub>2</sub>C<sub>2</sub>S. 
  * Jun. 2023: added CCl<sup>+</sup> files. 
  * May 2023: added CH<sub>3</sub>NHCH<sub>3</sub> files. 
  * Apr. 2023: added //c//-CD<sub>2</sub>CH<sub>2</sub>O files.