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STRUCTURAL AND ELECTRONIC PROPERTIES OF α-TiNX (X:F, Cl, Br, I): AN AB INITIO STUDY

✍ Scribed by ALTINTAS, BAHADIR


Book ID
126693146
Publisher
World Scientific Publishing Company
Year
2011
Tongue
English
Weight
784 KB
Volume
10
Category
Article
ISSN
0219-6336

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## Abstract The structure and properties (geometric, energetic, electronic, spectroscopic, and thermodynamic properties) of HArF‐HOX (X = F, Cl, Br) complex have been investigated at the MP2/aug‐__cc__‐pVTZ level. Three types of complexes are formed through a hydrogen bond or a halogen bond. The HA