Complex symmetrized calculations on ammonia vibrational levels
نویسندگان
چکیده
منابع مشابه
Vibrational energy levels of ammonia-type molecules from first principles calculations
The vibrational spectra of ammonia and the hydronium ion, including both their symmetric and asymmetric isotopomers, are calculated variationally using potential energy surfaces obtained with the latest methods of electronic structure calculation. The centrally bound ammonia-type molecules are interesting systems to study, due to the combination of the large-amplitude inversion motion and five ...
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ژورنال
عنوان ژورنال: Open Chemistry
سال: 2005
ISSN: 2391-5420
DOI: 10.2478/bf02479282