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Theoretical spectroscopy and its impact on experiment (in honour of Sigrid D. Peyerimhoff)

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Marian, C. M., Neese, F., Engels, B., Grimme, S., & Perić, M. (2008). Theoretical spectroscopy and its impact on experiment (in honour of Sigrid D. Peyerimhoff). Chemical Physics, 343, VII-IX.

Cite as: https://hdl.handle.net/21.11116/0000-0008-33AB-E
This issue is dedicated to Sigrid D. Peyerimhoff on the occasion of her 70th birthday. Theoretical spectroscopy has been the main theme of her scientific work. With the development and application of quantum chemical methods to spectroscopic problems she contributed greatly to the understanding of molecules in electronically excited states. Her longstanding fruitful collaboration with experimentalists is reflected in the success of three Collaborative Research Centers of the German Research Council founded by her and her colleagues. The topics investigated within these Collaborative Research Centers mirror the shift of Sigrid Peyerimhoff’s scientific focus. Her interests developed from spectral properties of di- and triatomic molecules studied in the framework of the SFB 42 “Energy States of Simple Molecules: Quantum Theoretical and Experimental Investigations”, launched in 1980, over properties of medium-sized organic and inorganic molecules investigated in the SFB 334 “Interaction in Molecules — Electronic and Steric Effects” in the period between 1989 and 2000, to the application of quantum chemical methods to large molecules within the SFB 624 “Templates — From the Design of Chemical Templates towards Reaction Control” starting in 2002 after her formal retirement.