Although chemically binding interatomic interactions are the basis for chemistry as a whole,
the understanding of the nature of the chemical bond is much less advanced than the …

For a long time methylene (: CH2), ethylene (H2C CH2), and cyclopropane [(CH2) 3] were
considered as compounds whose higher main group homologues or analogues could not …

The first edition, by PR Bunker, published in 1979, remains the sole textbook that explains
the use of the molecular symmetry group in understanding high resolution molecular …

This book is written for graduate students just beginning research, for theorists curious about
what experimentalists actually can and do measure, and for experimentalists bewildered by …

The application of the coupled cluster method restricted to single and double excitations
(CCSD) to a non-Hartree-Fock determinantal reference wavefunction is examined, with …

" Authoritative and clearly written."—Applied Optics The direct observation of short-lived free
radicals and the consequent study of their structure and reactions have led to important …

The electron correlation effects covered by density functional theory (DFT) can be assessed
qualitatively by comparing DFT densities ρ (r) with suitable reference densities obtained with …

Ever since matrix isolation spectroscopy was used as an analytical tool, carbenes and
related species have been a target of this method. Early reports on reactions of methylene in …

Local energy decomposition (LED) analysis decomposes the interaction energy between
two fragments calculated at the domain-based local pair natural orbital CCSD (T)(DLPNO …

The extraordinary advances in carbene (R1–C–R2) chemistry have been fuelled by
strategies to stabilize the electronic singlet state via π interactions. In contrast, the lack of …