The actinyl ions exhibit an unusually robust covalent bond which has a profound influence
on their chemistry. Their electronic structure has been unravelled by the use of a variety of …

We present the theoretical and technical foundations of the Amsterdam Density Functional
(ADF) program with a survey of the characteristics of the code (numerical integration, density …

The two basictheories of modernphysics are the theory of relativity and quantum mechanics.
While the importance of the latter in chemistry was instantly recognized, it was not until the …

A benchmark publication, the first edition of the Phosphor Handbook set the standard for
references in this field. Completely revised and updated, this second edition explores new …

The zero-order regular approximation ZORA1–3 to the Dirac equation has been successfully
applied before4 to molecules in the variant where spin–orbit interaction was neglected …

This Feature Article seeks to present the current state of knowledge, both experimental and
theoretical, of the electronic structure and bonding in actinyl ions and related species, such …

The results of X-ray photoelectron spectroscopy (XPS) studies of the structures of the outer
and inner electron shells of compounds of light actinides (Th, U, Np, Pu, Am, Cm, Bk, Cf) in …

While the velocity of light c is finite in the real world, most calculations of theoretical
chemistry make the approximation c-=. This is usually a satisfactory approximation for …

It has become possible over the last decade to carry out calculations on compounds of
heavy elements, taking relativistic effects into account explicitly. The methodology ranges …

The application of UV-Vis and time-resolved laser-induced fluorescence (TRLF)
spectroscopies to direct speciation of uranium (VI) in environmental samples offers various …