Capture of CO2 by diiodo‐N, N‐imidazoliumvinylidene, with singlet and triplet minima (1s
and 1t, respectively), is probed at M06‐2X/6‐311++ G** level of theory. Ground state …

We have investigated the structural and thermodynamic parameters of group‐14 substituted
germylenes and their reactivity toward the H2 molecule using density functional theory …

Density functional theory (DFT) and the Møller–Plesset expansion (MP2) calculations were
benchmarked to characterize the structure of novel derivatives of carbene …

To reach new triplet ground state (T) silylenes, we compare and contrast acyclic silylenes
with group 14 substituents (: Si (XH3) 2 (X= C, Si, Ge, Sn, and Pb; 1 C, 2 Si, 3 Ge, 4 Sn, and …

We aim to develop novel four‐membered cyclosilylenes that contain one (1 and 2), two (3),
three (4), and four (5) numbers of Si atoms at the M06/6–311+ G*, B3LYP/aug‐cc‐PVTZ, and …

Trapping of CO2 is probed by a set of three N‐heterocyclic vinylidene minima, from the
azole family, including imidazole (1), 1, 2, 4‐triazole (2), and tetrazole (3), at M06‐2X/6 …

Following our previous surveys on group 14 divalents, we report new series of N‐
heterocyclic germylenes (NHGe) and their analogs that are regarded as cyclic (1C–10C) …

Carbenes are anticipated to interact with different greenhouse gases including CH4, N2O,
CO2, etc. Here, CO2 trapping of singlet (s) and triplet (t) 4-vinylidencyclopentene minima (1 …