| Literature DB >> 17551618 |
Pekka Pyykkö1, Cong Wang, Michal Straka, Juha Vaara.
Abstract
A London-type formula is derived for endohedral systems. It involves the static dipole polarisability, alpha(1)(A) of the inner system, A, and a new type of dipole polarisability, alpha(-2)(B) with an r(-2) radial operator, for the outer system, B. The new formula has no explicit dependence on the radius, R, of B. The predicted interaction energies are compared against MP2 supermolecular calculations for A@C(60), A = He-Xe, Zn, Cd, Hg, and CH(4).Entities:
Year: 2007 PMID: 17551618 DOI: 10.1039/b704695b
Source DB: PubMed Journal: Phys Chem Chem Phys ISSN: 1463-9076 Impact factor: 3.676