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Assessing the Performance of Density Functional Theory Methods on the Prediction of Low-Frequency Vibrational Spectra

Peter Banks, Zihui Song, Michael T. Ruggiero

2020Journal of Infrared Millimeter and Terahertz Waves21 citationsDOI

Topics & Concepts

Intermolecular forceDensity functional theorySpectral lineStatistical physicsSeries (stratigraphy)Computational chemistryComputational physicsChemistryChemical physicsMaterials scienceMoleculePhysicsQuantum mechanicsBiologyPaleontologySpectroscopy and Quantum Chemical StudiesTerahertz technology and applicationsAdvanced Chemical Physics Studies
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