The dissociation curves of low-lying spin-mixed states in monohydrides of groups 6 and 7 were calculated by using an effective core potential (ECP) approach. This approach is based on the multiconfiguration self-consistent field (MCSCF) method, followed by first-order configuration interaction (FOCI) calculations, in which the method employs an ECP basis set proposed by Stevens and co-workers (...

Significant heat transfer issues associated with four alternative hydrogen storage methods are identified and discussed, with particular emphasis on technologies for vehicle applications. For compressed hydrogen storage, efficient heat transfer during compression and intercooling decreases compression work. In addition, enhanced heat transfer inside the tank during the fueling process can minim...

Nanomaterials are beginning to play an essential role in addressing the challenges associated with hydrogen production and storage. The outstanding physicochemical properties of nanomaterials suggest their applications almost all technological breakthroughs ranging from catalysis, metal-organic framework, complex hydrides, etc. This study outlines (considering both thermochemical, biological, w...

The single electron transfer (SET) reactivity of metal alkyls and hydrides is currently receiving growing attention [1-3]. Thus, it has been demonstrated that aluminum species AIX3 (X = R [4], H [5], Cl [6]) can react with reducible carbonyl compounds to form aluminium containing radical complexes [4-6]. Besides carbonyl compounds, certain N-heterocycles can also be used as electron transfer su...