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Digitale Medien

Photoelectron spectra of molecules. II. Carboxylic acids and their esters (1997)

Mölder, U. ; Koppel, I. ; Burk, P. ; [weitere]

New York, NY : Wiley-Blackwell

International Journal of Quantum Chemistry 62 (1997), S. 303-314

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Details

ISSN: 0020-7608

Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: He I photoelectron (PE) spectra of four carboxylic acids and five esters are measured. Semiempirical and ab initio quantum chemical calculations are used for the interpretation of the spectra. The complex approach which uses empirically established relationships (the dependence of valence electron ionization energies on proton affinities in the gas phase, on the core level ionization energies, and on the structure) was developed. © 1997 John Wiley & Sons, Inc.

Zusätzliches Material: 4 Ill.

Materialart: Digitale Medien

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