P
Pavel Hobza
Researcher at Academy of Sciences of the Czech Republic
Publications - 567
Citations - 51511
Pavel Hobza is an academic researcher from Academy of Sciences of the Czech Republic. The author has contributed to research in topics: Ab initio & Hydrogen bond. The author has an hindex of 107, co-authored 564 publications receiving 48080 citations. Previous affiliations of Pavel Hobza include Czechoslovak Academy of Sciences & Fritz Haber Institute of the Max Planck Society.
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Ab initio Calculations of the Rotation-Vibration Spectrum of Na3+
Ladislav Češpiva,Vlasta Bonačić-Koutecký,Jaroslav Koutecký,Per Jensen,Vojtěch Hrouda,Petr Čársky,Vladimír Špirko,Pavel Hobza +7 more
TL;DR: In this paper, a power series in the variables yi = 1 - exp (-a∆ri), where ∆ri are bond length displacements from equilibrium, has been fitted through the surface obtained and used in a variational rotation-vibration calculations with a basis set of products of Morse-oscillator eigenfunctions and symmetric top rotational wave functions.
Journal ArticleDOI
The Lithium Bond Reexamined
Journal ArticleDOI
World of van der Waals Species
Pavel Hobza,Rudolf Zahradník +1 more
TL;DR: The main features of the contemporary possibilities for quantum chemical treatment are illustrated mostly on systems studied in the authors' laboratory as mentioned in this paper, which is a real challenge for both experimentalists and theorists.
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Various types of non-covalent interactions contributing towards crystal packing of halogenated diphospha-dicarbaborane with an open pentagonal belt
TL;DR: In this paper, 3-Cl-10-I-nido-7,8,9,11-P2C2B7H7 with I2 in the presence of AlCl3 was obtained in a yield of 49% and was characterized by NMR spectroscopy and X-ray crystallography.