This review describes the preparation and structures of ferrocene‐containing coordination
polymers with a focus on ligand design. Neutral ligands such as heteroaryl ferrocenes and …

A new compound with electride characteristics, Li@ calix [4] pyrrole, is designed in theory.
The Li atom in Li@ calix [4] pyrrole is ionized to form a cation and an excess electron anion …

Two new classes of (HCN) n⊙⊙⊙ Li and Li⊙⊙⊙(HCN) n (n= 1, 2, 3) clusters with the
electride characteristic are formed in theory by the metal Li atom attaching to the (HCN) n …

The aim of this review is to provide an overview of the structures of discrete metal complexes
with N-heterocyclic ferrocenes, based on their crystal structures. These N-heterocyclic …

This work predicts the extraordinary hyperpolarizability of inorganic clusters: two water trimer
anions. The first hyperpolarizabilities of (H 2 O) 3− are considerable, β 0= 1.715× 10 7 au for …

A new carbon paste electrode is described, which contains the room temperature ionic liquid
(RTIL) tri (tert-butyl)(dodecyl) phosphonium tetrafluoroborate as binder. The advantages of …

“Inverse sodium hydride”(AdzH+ Na-) is an alkalide compound synthesized in recent
experiments containing the unusual charge distribution H+ and Na-(inverse charge state) …

Hartree-Fock (HF) method relies in the calculations of nonlinear optical properties (NLO) for
benzoic acid molecule. Also, another theoretical study is conducted by using the TD-DFT …

Theoretical descriptions of the molecular nonlinear optical properties of triphenyl borazine
(TPB) derivatives are presented by using DFT level theory on employing CAM-B3LYP …

Bis (trifluoromethanesulfonyl) amide (TFSA), hexafluorophosphate (PF6−), and iodide salts
of 1-ferrocenyl-3-alkylimidazolium were prepared and their thermal and physical properties …