Density functional investigations on neutral and anionic OsF n species (n= 1–7) have been
performed in various spin states. It is revealed that OsF n species are stable in neutral form …

Interplay of thermochemistry and Structural Chemistry, the journal (volume 23, 2012, issues
1–3) and the discipline | SpringerLink Skip to main content Advertisement SpringerLink Log in …

Density functional calculations on the ground state geometries and stabilities of PdOn
species (n= 1–5) are performed in neutral as well as anionic forms. Calculations reveal that …

Using size-selected anion photoelectron spectroscopy and density functional theory, we
investigated the structures and properties of fluorinated bimetallic clusters CoAuF 1-2− and …

A systematic study on ReF n species for n= 1–7 in neutral and (mono) anionic forms has
been performed using M06/aug-cc-pVTZ-PP method in density functional theory. The …

The question of whether or not the chromium hexafluoride molecule has been synthesized
and characterized has been widely discussed in the literature and cannot, in spite of many …

Nanoclusters of nickel sulphide (NiS) n and iron sulphide (FeS) n for n= 3–5 are studied
using B3LYP exchange correlation function with 6-31G as a basis set. The structural stability …

Theoretical density functional calculations are performed on AuOnq− species for q= 0–3 and
n= 1–4 in various spin states. AuOn species are found to be relatively more stable in their …

First-principles calculations predict that atomic iron (Fe) combines with fluorine (F) to
produce stable molecular complexes having the form FeF n (n= 1–6) and the species with …

Nitrous oxide (N 2 O) adsorption on the pristine and Stone–Wales (SW)-defected hexagonal
BN nanosheets were investigated using density functional calculations including dispersion …