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Of Resonances and Hadicals - Hydrate Studies for Benchmarking

Taija Lena Fischer

出版	Georg-August-Universität Göttingen, 2024
URL	http://books.google.com.hk/books?id=wyWf0AEACAAJ&hl=&source=gbs_api

註釋

Theory experiment benchmarks are a valuable tool to improve quantum numerical methods. To provide experimental data suitable for benchmarking, this work focuses on the investigation of jet cooled hydrate clusters using fourier transform infrared spectroscopy at a novel recycling setup. A universal resonance in ketone water complexes is reported for 10 systems, where the O-H stretching vibration of the bound water (OHb) couples to the bending overtone and libration motion of the bridging H atom (b2lib). The first jet cooled spectra of the hydrate of the stable TEMPO ((2,2,6,6-tetramethylpipe...