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Over the past several decades there have been major advances in our ability to computationally evaluate the electronic structure of inorganic molecules, particularly transition metal systems. This advancement is due to the Moore's Law increase in computing power as well as the impact of density functional theory (DFT) and its implementation in commercial and freeware programs for quantum chemical calculations. Improved pure and hybrid density functionals are allowing DFT calculations with accuracy comparable to high-level Hartree-Fock treatments, and the results of these calculations can now...

This is a distinct new era for UNIT. Set in the late 1990s, the Cold War is over and the geopolitical landscape is in flux. Brigadier Bambera is deemed the right candidate to lead UNIT into the 21st century. But in this shadowy, unpredictable world of deadly threats and hidden enemies, Bambera and her new team - including sarcastic second-in-command, Sergeant Jean-Paul Savarin and tough scientific advisor, Dr Louise Rix - will need to prove their mettle. The stakes are higher than ever. 1. Rogue State by Robert Valentine In the war-torn republic of Valge Maja, Brigadier Bambera is hot on...