Weak Hydrogen Bonds to Molecular Nitrogen and Oxygen as Experimental Benchmarks for Quantum Chemistry

by Sönke Oswald
Doctoral thesis
Date of Examination:2019-02-28
Date of issue:2019-03-22
Advisor:Prof. Dr. Martin A. Suhm
Referee:Prof. Dr. Martin A. Suhm
Referee:Prof. Dr. Alec Wodtke
Persistent Address: http://dx.doi.org/10.53846/goediss-7358

 

 

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Abstract

English

Small molecular complexes in the gas phase weakly bound by hydrogen bonds to molecular nitrogen and oxygen are studied by vibrational and rotational spectroscopy. The obtained experimental data are used as benchmarks for quantum chemical electronic structure calculations.
Keywords: Vibrational Spectroscopy; Molecular Clusters; Rotational Spectroscopy; Hydrogen Bonding; Quantum Chemistry; Intermolecular Interactions; Benchmarking
 
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