Charge density analysis in semiconducting charge transfer complexes: a comparison between experiment and DFT calculations
نویسندگان
چکیده
منابع مشابه
The interaction between theory and experiment in charge density analysis
The field of x-ray charge density analysis has gradually morphed into an area benefiting from the strong interactions between theoreticians and experimentalists, leading to new concepts on chemical bonding and of intermolecular interactions in condensed phases. Some highlights of the developments culminating in the 2013 Aminoff Award are described in this paper. PACS numbers: 61.05.C−, 61.50.Cf...
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ژورنال
عنوان ژورنال: Acta Crystallographica Section A Foundations of Crystallography
سال: 2000
ISSN: 0108-7673
DOI: 10.1107/s010876730002136x