Ab initio spectroscopic studies of non-rigid molecules: An application to acetic acid

DOI10.1007/S10910-011-9836-1zbMATH Open1303.92144OpenAlexW2041220374MaRDI QIDQ645149FDOQ645149

María Luisa Senent

Publication date: 8 November 2011

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-011-9836-1

zbMATH Keywords

acetic acidastrochemistrynon-rigid molecules

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cited In (3)

• Vibrational isotope effect of linear and planar molecules: Deuterated bromoethenes
• Conformational effects in acetyl methoxyphenols
• Modulational instabilities in acetanilide taking into account both the N–H and the C=O vibrational self-trappings

Uses Software

• GAUSSIAN

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