Theory helps give chemists a framework for understanding bonding, reactivity, and spectroscopy, among other things. The past few decades have seen major advances in computing power and software, which have combined to provide access to increasingly accurate and efficient calculations of chemical systems.
In his Editorial for Angewandte Chemie, Walter Thiel, Max Planck Institute for Coal Research, Müllheim, Germany, takes a critical look at the current state of theoretical chemistry. He explains how theoreticians, computational chemists, and experimentalists use computational methods in different ways. He encourages collaboration between these groups, which can be fruitful for all sides. And he advocates adoption of curricula that cover modern theoretical methods to adequately acquaint students with the tools of computational chemistry.
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