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Density functional studies on the molecular geometries, vibrational frequencies, electron affinities of X2F− (X=C,Si,Ge) cluster

✍ Scribed by J.-G. Han


Book ID
114143597
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
82 KB
Volume
491
Category
Article
ISSN
0166-1280

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Density functional investigation of the
✍ Emilia Sicilia; Marirosa Toscano; Tzonka Mineva; Nino Russo 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 147 KB 👁 2 views

The geometrical and spectroscopic parameters of SiF , SiCl , GeF , GeCl , SnF , and SnCl were determined using the linear combination of Gaussian-type orbitals᎐local spin 2 Ž . Ž . density LCGTO᎐LSD method and employing both the local LSD and nonlocal Ž . functionals NLSD for the exchange᎐correlati