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New features in the MOGADOC database

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Abstract

The development of the Molecular Gas-Phase Documentation database is briefly described. It has been developed from a unique literature compilation via the first client programs on computer mainframes and personal computers to a versatile HTML-based version, which can be run platform-independently by common Web browsers. In the database, the structural parameters for about 9200 organic, metalorganic, and inorganic compounds studied in the gas phase mainly by electron diffraction and microwave spectroscopy are given numerically, and the molecular structures can be visualized in many ways, particularly in three-dimensional representation. Moreover, the spectroscopic parameters (such as rotational and centrifugal distortion constants, dipole moments, nuclear quadrupole coupling constants, and barriers of hindered rotation) can be retrieved by keywords.

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Acknowledgments

The authors would like to express their sincere thanks to all colleagues for their stimulating discussions and valuable contributions. Most of the partial projects have been supported by the Dr. Barbara Mez-Starck Foundation.

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Authors and Affiliations

  1. Chemieinformationssysteme, Universität Ulm, 89069, Ulm, Germany

    Jürgen Vogt, Natalja Vogt, Rainer Rudert, Evgeny Popov, Sabine Schlagenhauf, Karola Deutzmann & Rüdiger Kramer

  2. Nizhny Novgorod State University of Architecture and Civil Engineering, Nizhny Novgorod, Russia

    Evgeny Popov

Authors
  1. Jürgen Vogt
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  2. Natalja Vogt
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  3. Rainer Rudert
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  4. Evgeny Popov
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  5. Sabine Schlagenhauf
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  6. Karola Deutzmann
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  7. Rüdiger Kramer
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Corresponding author

Correspondence to Jürgen Vogt.

Additional information

Dedicated to Magdolna Hargittai on the occasion of her 70th birthday.

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Vogt, J., Vogt, N., Rudert, R. et al. New features in the MOGADOC database. Struct Chem 26, 1725–1727 (2015). https://doi.org/10.1007/s11224-015-0634-4

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  • DOI: https://doi.org/10.1007/s11224-015-0634-4

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