This review sets out to understand the reactivity of diradicals and how that may differ from
monoradicals. In the first part of the review, we delineate the electronic structure of a …

A review of the various possible definitions of diradicals leads the authors to describe these
systems as having two odd electrons in degenerate or nearly‐degenerate molecular …

Theory of Unimolecular Reactions provides a comprehensive analysis of the theory of
unimolecular reactions, also known to kineticists as the Rice-Marcus or the Rice …

Eine Übersicht über die Definitionen von Diradikalen führt die Autoren dazu, diese als
Systeme mit zwei einsamen Elektronen in entarteten oder nahezu entarteten …

When matrix isolated 2, 3-diazabicyclo [2.2. 1] heptene-2 is photolyzed at 5.5 K a strong
ESR signal can be observed describable by a triplet state spin Hamiltonian with zero-field …

Recent excursions to the borderlands between the realms of concerted and stepwise:
carbocation cascades in natural products bios Page 1 Received: 22 October 2007, Revised: 6 …

Efficient methods are developed for the computation of spin-orbit coupling constants in
polyatomic molecules using complete active space multiconfiguration self-consistent field …

Resonance integrals between different hybrid AOs do not vanish, contrary to statements in
current texts. Bonds in saturated molecules are therefore not localized. Indeed β (sp3, sp3) …

Previous methods of analytic evaluation of the potential energy gradient with respect to
nuclear coordinates have been limited to single determinant Hartree-Fock wavefunctions …

In this paper we use classical trajectories to study the stereomutation of cyclopropane-1, 2-
d2. 1 We address two unsettled issues: the existence of trimethylene as a mechanistically …