LAUSR

Concordant Mode Approach for Molecular Vibrations.

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1 Published in 2022 at "Journal of the American Chemical Society"

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