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Issue 19, 2003
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SARACEN – molecular structures from theory and experiment: the best of both worlds

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Abstract

Structures of molecules in the gas phase, determined experimentally, provide definitive information about their identity, reactivity and other properties, free from intermolecular interactions. Available methods have not been applicable to large and asymmetric molecules. Now the SARACEN (Structure Analysis Restrained by Ab initio Calculations for Electron diffractioN) method, using data from computational methods to complement experimental data, has opened the door to full structure determination for all sufficiently volatile molecules.

Graphical abstract: SARACEN – molecular structures from theory and experiment: the best of both worlds

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Publication details

The article was received on 19 Jun 2003, accepted on 19 Aug 2003 and first published on 01 Sep 2003


Article type: Perspective
DOI: 10.1039/B307022K
Citation: Dalton Trans., 2003,0, 3650-3662

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    SARACEN – molecular structures from theory and experiment: the best of both worlds

    N. W. Mitzel and D. W. H. Rankin, Dalton Trans., 2003, 0, 3650
    DOI: 10.1039/B307022K

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