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Journal Articles Theoretical Chemistry Accounts: Theory, Computation, and Modeling Year : 2018

The Infrared spectrum of very large (periodic) systems: global versus fragment strategies—the case of three defects in diamond

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hal-01918268 , version 1 (08-02-2024)

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Fabien Pascale, Simone Salustro, Anna Maria Ferrari, Michel Rérat, Philippe D’arco, et al.. The Infrared spectrum of very large (periodic) systems: global versus fragment strategies—the case of three defects in diamond. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2018, 137 (12), ⟨10.1007/s00214-018-2380-3⟩. ⟨hal-01918268⟩
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