The nature of the interatomic interactions in cyclic conjugated molecules has been
investigated with the Energy Decomposition Analysis (EDA). The focus of this work is on the …

Molecular rings of N carbon atoms (cyclo [N] carbons, or CN) are excellent benchmarking
systems for testing quantum chemical theoretical methods and valuable precursors to other …

Possible mechanisms of activation reactions of H2 with a variety of acyclic and cyclic
silylenes and germylenes have been investigated by using the density functional theory …

Group 14 chemistry has continued strong with many exciting reports published in the
calendar year 2005. The chemistry of this diverse Group is extremely varied but this year …

A new two-dimensional classification of singlet carbenes based on the difference in
reactivity of their insertion reactions into the C− H bonds of acetonitrile and isobutane is …

Five sets of group 14 sextet cyclic unsaturated divalent species including carbenes (1X),
silylenes (2X), germylenes (3X), stannylenes (4X), and plumbylenes (5X) are compared and …

The performances of Møller-Plesset second-order perturbation theory (MP2) and density
functional theory (DFT) have been assessed for the purposes of investigating the interaction …

Plumbacyclopentadienylidenes, in which the lead atoms have divalent states and are
coordinated by THF, pyridine and N‐heterocyclic carbene, were synthesized and …

Abstract Compared with cyclonona‐3, 5, 7‐trienylidene (1H), which turns out as a boat‐
shaped singlet transition state for having a negative force constant, its heavier stanylenic …

Nine boat‐shaped cyclonona‐3, 5, 7‐trienylidenes are compared and contrasted with
respect to their multiplicity, nucleophilicity, electrophilicity, band gap (ΔEHOMO− LUMO) …