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Theoretical ab initio calculations of the structure factors of fluorite (CaF2)

✍ Scribed by Lichanot, A. ;Rérat, M. ;Catti, M.


Book ID
114513831
Publisher
International Union of Crystallography
Year
1995
Tongue
English
Weight
706 KB
Volume
51
Category
Article
ISSN
0108-7673

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It was determined in ab initio calculations that an electron can attach to thymine, forming a stable anion. The electron is attached predominantly to the positive end of the molecular dipole moment; however, some contribution from the covalent character is also present. The adiabatic electron affini