P.S. Bagus, K. Hermann
Solid State Communications
The stability of RbHF and RbH2O complexes has been investigated by performing Hartree-Fock calculations on Rb · HF, H · RbF, and Rb · H2O species in various orientations. Heats of interaction of 2-5 kcal/mol are typically obtained. In each system, the free radical prefers to approach the dipolar molecule at the negative end. This preference cannot be explained by a simple point-dipole induced-dipole model; the finite size of the dipole is important and produces the directional sensitivity. These results indicate that such species should be stable in no-collision environments; such as the ultrahigh vacuum conditions in which RbH2O has been observed. © 1982 American Institute of Physics.
P.S. Bagus, K. Hermann
Solid State Communications
K. Hermann, P.S. Bagus
Chemical Physics Letters
C.S. Fadley, D.A. Shirley, et al.
Physical Review Letters
I.P. Batra, P.S. Bagus, et al.
Theoretica Chimica Acta