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Theoretical studies of intermolecular interactions of arachno-pentaborane (11) with HF and LiH

✍ Scribed by Zabardasti, Abedien; Arabpour, Masomeh; Zare, Nahid


Book ID
118199058
Publisher
Elsevier
Year
2013
Tongue
English
Weight
422 KB
Volume
1008
Category
Article
ISSN
2210-271X

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Theoretical Study on Intermolecular Inte
✍ Xue-Hai Ju; He-Ming Xiao; Qi-Ying Xia πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 516 KB

## Abstract __Ab initio__ calculations were carried out for difluoroamine complexes at the HF and MP2 levels with different basis sets. The BSSE correction was included with counterpoise procedure. The dimer, trimer and tetramer were all found to exhibit two minima. The corrected binding energies a