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Formulations of the closed-shell interactions in endohedral systems

✍ Scribed by Wang, Cong; Straka, Michal; Pyykkö, Pekka

Book ID
118177841
Publisher
Royal Society of Chemistry
Year
2010
Tongue
English
Weight
723 KB
Volume
12
Category
Article
ISSN
1463-9076

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📜 SIMILAR VOLUMES

A theory for the interactions between cl
A theory for the interactions between closed shell systems
✍ A.I.M. Rae 📂 Article 📅 1973 🏛 Elsevier Science 🌐 English ⚖ 321 KB

A recznt theory for intermoleculx interxtions is modified by the exclusion of a "self-exchange" contribution and the inclusion of dispersive interactions. Improved agreement Mth experimental measurements of rare gas interaction potentials is obtained.

Perturbative formulation of dispersion c
Perturbative formulation of dispersion contributions to interaction energy of van der Waals systems of ?closed-shell-open-shell? type
✍ Luke?, Vladim�r; Laurinc, Viliam; Biskupi?, Stanislav 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 214 KB

Restricted Hartree᎐Fock molecular orbitals have been used for the evaluation of dispersion contributions to the van der Waals interaction between closed-shell and open-shell systems represented by a simple Slater determinant. The dispersion energy has been computed for the ground state of He-H and H