Concordant Mode Approach for Molecular Vibrations.
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DOI: 10.1021/jacs.2c11158
Abstract: The Concordant Mode Approach (CMA) is advanced as a novel hierarchy for increasing the system size and level of theory feasible for quantum chemical computations of harmonic vibrational frequencies. The key concept behind CMA is… read more here.
Keywords: cma; mode approach; concordant mode; level theory ... See more keywords