Performances of different density functionals in the computation of vibrational spectra beyond the harmonic approximation
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Reference31 articles.
1. Structure and Vibrational Spectra of the Azabenzenes. A Density Functional Study Including Exact Exchange Contributions
2. Anharmonic force fields from density functional theory
3. Fundamental vibrational frequencies of small polyatomic molecules from density-functional calculations and vibrational perturbation theory
4. Experimental and theoretical anharmonicity for benzene using density functional theory
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