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Open Access The Interplay and Synergism of Experiment and Quantum Chemistry in Research on Reactive Intermediates

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Three examples from the work of the author's research group on reactive intermediates are used to illustrate how fruitful interaction between experimental and computational chemistry may lead to the solution of problems that neither of the two methods could have solved without the other. It is shown that computational chemistry has indeed become an indispensable tool for the verification of spectroscopic assignments, the elucidation of reaction mechanisms, and the understanding of the factors that drive chemistry.

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Keywords: COMPUTATIONAL CHEMISTRY; MATRIX ISOLATION SPECTROSCOPY; REACTIVE INTERMEDIATES

Document Type: Research Article

Publication date: July 1, 2005

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  • International Journal for Chemistry and Official Membership Journal of the Swiss Chemical Society (SCS) and its Divisions

    CHIMIA, a scientific journal for chemistry in the broadest sense, is published 10 times a year and covers the interests of a wide and diverse readership. Contributions from all fields of chemistry and related areas are considered for publication in the form of Review Articles and Notes. A characteristic feature of CHIMIA are the thematic issues, each devoted to an area of great current significance.

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