This review focuses on the available experimental and theoretical investigations on noble
gas (Ng) endohedral fullerenes, addressing essential questions related to the mutual effects …

Noble gases (Ngs) are the least reactive elements in the periodic table towards chemical
bond formation when compared with other elements because of their completely filled …

In this paper, we report reimplementation of the core algorithms of relativistic coupled cluster
theory aimed at modern heterogeneous high-performance computational infrastructures …

Systematic analysis of the noble gas (Ng= He–Rn) trap** capacity of the B 12 N 12 cluster
were performed at the PBE0-D3/def2-TZVP level by means of thermochemical data …

Determining the precise structures of small gold clusters is an essential step towards
understanding their chemical and physical properties. Due to the relativistic nature of gold …

Thermodynamic, kinetic, and chemical bonding analysis at the coupled cluster level has
been carried out for a series of hypercoordinated carbon compounds with formula CH4Ng2+ …

Recent development in the synthesis and characterization of noble-gas compounds is
reviewed, ie, noble-gas chemistry reported in the last five years with emphasis on the …

We propose here a general classification of the Ng–X bonds (Ng= noble-gas atom; X=
binding partner) that relies on the combined analysis of the local electron energy density H …

In this work, we investigate the infrared spectrum of the Ar–AgF complex by using two
methodologies. The first is performed by the computation of full-dimensional dynamics, and …

We present a four-component relativistic density functional theory study of the chemical
bond and s–d hybridization in the group 11 cyanides M–CN (M= Cu, Ag, and Au). The …