First-principles modeling of the infrared spectrum of antigorite
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DOI: 10.5194/ejm-33-389-2021
Abstract: Abstract. The infrared absorption spectrum of a natural antigorite sample from New Caledonia is compared to its theoretical counterpart computed for the pristine antigorite m=17 polysome within the density functional perturbation theory framework. The theoretical… read more here.
Keywords: spectrum antigorite; infrared spectrum; first principles; modeling infrared ... See more keywords