The pseudo-Jahn− Teller effect is the only source of instability and distortions of high-
symmetry configurations of polyatomic systems in nondegenerate states, and it contributes …

Scintillators are designed significantly for utilization in a broad range of technology fields,
notably nuclear physics, healthcare testing, and materials analysis. A number of applications …

Metal halides are a relatively large class of inorganic compounds that participate in many
industrial processes, from halogen metallurgy to the production of semiconductors. Because …

Trends in bond angle are identified in a systematic study of more than a thousand symmetric
A 2 B triatomic molecules. We show that, in series where atoms A and B are each varied …

Connections between the structures of Group 12 dihalides in their vapor and crystal phases
are sought and discussed. The molecular structures of all monomers and dimers (MX2: M …

Geometry parameters, vibrational frequencies, heats of formation, bond dissociation
energies, cohesive energies, and selected fluoride affinities (difluorides) are predicted for …

The unexpected bent geometries of some alkaline earth dihalides and dihydrides, ML2 (M=
Ca, Sr, Ba; L= H, F, Cl, Br) have been explained in the literature using various models that …

The molecular and electronic structure of dysprosium trichloride, Dy Cl 3⁠, was calculated
by high-level quantum chemical methods in order to learn about the effect of the partially …

The molecular geometry and vibrational frequencies of monomeric and dimeric dysprosium
tribromide, DyBr3 and Dy2Br6, together with the electronic structure of their ground and first …

In the current study we relate the contents of the journal of “Structural Chemistry” for the
calendar year 2006 to thermochemistry. Each paper is briefly summarized and …