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New insights into chloromethyl-oxirane and chloromethyl-thiirane in liquid and solid phase from low-temperature

O Palumbo1, A Paolone1, M Campetella2

  • 1CNR-ISC, UOS La Sapienza, P. le A. Moro 5, 00185 Roma, Italy.

Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|October 22, 2020
PubMed

Keywords:
Ab initio molecular dynamicsChloromethyl-oxiraneConformational equilibriumFree energy ab initio calculationsInfrared spectroscopyLow-temperature IRSolvent effectsThiirane

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