Dispersion interactions
نویسندگان
چکیده
منابع مشابه
Dispersion interactions in silicon allotropes.
van der Waals interactions are known to play a key role in the formation of weakly bound solids, such as molecular or layered crystals. Here we show that the correct quantum-chemical description of van der Waals dispersion is also essential for a correct description of the relative stability between purely covalently-bound solids like silicon allotropes. To this end, we apply periodic local MP2...
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ژورنال
عنوان ژورنال: Beilstein Journal of Organic Chemistry
سال: 2018
ISSN: 1860-5397
DOI: 10.3762/bjoc.14.286