Browsing by Subject "halogen bond"

Sort by: Order: Results:

  • Yushina, I. D.; Bulatova, L. M.; Nasibullina, S. E.; Bartashevich, E. V.; Юшина, И. Д.; Булатова, Л. М.; Насибуллина, С. Э.; Барташевич, Е. В. (Издательский центр ЮУрГУ, 2015)
    On the example of the iodine crystal structure we have selected the optimal basis sets, allowing reproduction of interatomic distances and Raman spectral characteristics by 3D periodic Kohn-Sham calculations. Advantages ...