The journal of physical chemistry. A
Impact of Empirical Dispersion and Long-Range Corrections on the Raman Optical Activity Signatures of Cryptophane-111.
Lou C G D'haese, Vincent Liégeois
Published: 202610.1021/acs.jpca.5c07087
Abstract
In our recent work (D'haese, L. C. G.; et al., Spectrochim. Acta, Part A 2024, 306, 123484), we have studied the cryptophane-111 system and observed a peculiar behavior on the relative energies of its conformers, induced by the addition of empirical…
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