I begin this review with a statement that the socalled Jahn-Teller (JT) effect (hereafter JTE),
pseudo-JTE (PJTE), and Renner-Teller effect (RTE), jointly JT vibronic coupling effects, are …

The first half of the title of this book may delude the uninitiated reader. The term'" Jahn-Teller
effect," taken literally, refers to a special effect inherent in particular molecular systems …

The crystal structures of inorganic compounds comprising cationic complexes containing
oxygen atoms coordinated tetrahedrally to metal atoms, or oxocentred groups [OM4], are …

Most known molecules and compounds follow fixed stoichiometry and can be rationalized
on the basis of classical valence theories. However, nonstoichiometric species, particularly …

Silicate grains comprise a large fraction of cosmic dust, motivating a need to understand
how they form. The current body of work on silicates generally reflects the abundance of …

We describe both the methodologies and recent applications of atomistic computer
modelling techniques in materials chemistry. We discuss first, simulation techniques based …

Despite the importance of MgO+ for understanding the electronic structure and chemical
bonds in alkaline-earth metal oxides and its potential astrophysical relevance, hardly any …

The chemical route, sol–gel process has emerged as an efficient and cost effective synthesis
route for existing and new materials. However, various species can be physisorbed …

Structures of the magnesium Grignard complexes CH3MgF, CH3MgMgF, CH3MgF (Mg),
and CH3MgF (Mg2> have been studied by ab initio methods of quantum chemistry …

Mechanistic insight into the thermal O–H bond activation of water by the cubane-like,
prototypical heteronuclear oxide cluster [Al2Mg2O5]•+ has been derived from a combined …