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Pere Alemany Analyzing the electronic structure of molecules using continuous symmetry measures International Journal of Quantum Chemistry 113

Version of Record online: 6 DEC 2012 | DOI: 10.1002/qua.24373

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Highly symmetric models are routinely being applied in theoretical chemistry to situations where this symmetry is not present (or only present in an approximate way). The so-called continuous symmetry measures formalism, which is based on the generalization of the concept of symmetry to define it as a continuous property, is presented in this perspective article as a possible solution to problems arising from this contradiction.

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