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VPT2 Calculations of Vibrational Energies of CH3COOC6H4COOH Done in Seconds on a Laptop Using a Machine Learned

Saikiran Kotaru1, Chen Qu2, Apurba Nandi1

  • 1Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, United States.

The Journal of Physical Chemistry Letters
|June 4, 2026
PubMed

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