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Dicarboxylic Acids: Conformations & Vibrations by alves is a document available to read on EtoBox.
This study investigates the conformations and vibrational characteristics of higher dicarboxylic acids using ab initio calculations at the HF/4-21G and HF/6-31G** levels. The research includes potential energy scans, vibrational frequency evaluations, and comparisons with available solid-state Raman and IR spectra. The findings aim to enhance understanding of the energetics and properties of these acids, particularly in relation to their roles as enzyme substrates.
- Author
- alves
- Language
- EN