The H2OMg van der waals complex — a theoretical study
✍ Scribed by Joachim Sauer; Barbara Kathan; Reinhart Ahlrichs
- Book ID
- 103665276
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 791 KB
- Volume
- 113
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
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The microwave spectrum of the van der Waals complex Ar-N2 has been investigated, t4N quadrupole coupling constants, rotational and centrifugal distortion constants, structural parameters and an estimate of the dipole moment have been obtained. A value for the ~4N quadrupole coupling constant for fre
Ab initio SCF and MP2 calculations have been performed on the structural and energetic properties of HsO-2C0. Three possible energy minima were found, all forming almost linear hydrogen bonds. The most stable species was observed when both carbon monoxide monomers were attached to water via the carb