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Showing 1 to 1 of 1 for “"dipole driven molecular dynamics"”.
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Interpretation of Infrared and Raman Spectra Using Driven Molecular Dynamics Method
… molecules and complexes are studied using molecular dynamics (MD) method. Additionally, polarizability driven molecular dynamics method is employed to assign prominent vibrational modes beyond the constraint of the harmonic approximation. These methods are applied to the benchmark systems …