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Quantum mechanics of two interacting dipole molecules with fixed intermolecular axis

✍ Scribed by K. -L. Jüngst; K. v. Meyenn

Book ID
105177129
Publisher
Springer
Year
1971
Tongue
English
Weight
461 KB
Volume
242
Category
Article
ISSN
0939-7922

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Intra- and intermolecular interactions in crystals of polar molecules. A study by the mixed quantum mechanical/molecular mechanical SCMP-NDDO method
✍ György G. Ferenczy; János G. Ángyán 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 180 KB 👁 2 views

## Abstract Stabilization energies of crystals of polar molecules were calculated with the recently developed NDDO‐SCMP method that determines the wave function of a subunit embedded in the symmetrical environment constituted by the copies of the subunit. The total stabilization energies were decom