Chemists prefer to describe reactions in terms of the properties of isolated systems, chosen
to yield information on the behavior of a given reactant under perturbation by another …

Few concepts are as frequently used as aromaticity in the current chemical literature. 1 This
may be quantified by ca. 300 000 papers dealing with the aromatic properties of chemical …

A redundant internal coordinate system for optimizing molecular geometries is constructed
from all bonds, all valence angles between bonded atoms, and all dihedral angles between …

This review article describes the evolution of Woodward's mechanistic thinking, beginning in
the late 1930s and early 1940s with his proposal of a charge‐transfer mechanism for the …

A molecular origin of the striking rate increase observed in a reaction on water is studied
theoretically. A key aspect of the on-water rate phenomenon is the chemistry between water …

Conspectus This Account describes our quest to understand and predict organic reactivity, a
principal goal of physical and theoretical organic chemistry. The focus is on the development …

Pericyclic reactions may be the most important class of organic reactions. Certainly, the
mechanisms of these reactions have been the subject of the most heated and interesting …

Forbidden reactions, such as those that violate orbital symmetry effects as captured in the
Woodward–Hoffmann rules, remain an ongoing challenge for experimental characterization …

This comprehensive handbook presents the full potential of modern acetylene chemistry,
from organic synthesis through materials science to bioorganic chemistry. K. Houk, H. Hopf …

The elusive intermediate o-quinodimethane (oQDM), also named o-xylylene, has attracted
much attention of both theoretical and synthetic chemists over the past 30 years. As cis …