Chemicals and Chemistry
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Research conducted at University of Helsinki, Department of Physics has updated our knowledge about organic chemicals
December 10th, 2010
Research findings, 'Universal signature of hydrogen bonding in the oxygen K-edge spectrum of alcohols,' are discussed in a new report. "We present a study of the local electronic structure surrounding the OH group in a series of alcohols by X-ray Raman scattering at the oxygen K edge. The samples include the linear alcohols from methanol to butanol as well as the isomers isopropanol, isobutanol, and 2-butanol," scientists in Finland report.
"For interpretation and computational benchmarks, we combine classical molecular dynamics (MD) simulations and density functional theory (DFT) spectrum calculations. The results indicate that intramolecular structure influences the...
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Source: Chemicals and Chemistry (2010-12-10)