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- W2424451028 abstract "We present ab initio calculations of the electron density properties and metallophilic interactions of the gold halide series, AuX 2 and Au 2 X (X = F–I) as well as their anions performed at MP2 theoretical level with extended basis sets. The gold halide's structure, stability, and interactions with alkali metal atoms were investigated. The mechanisms of metallophilic interactions were explored by natural bond orbital analyses, electron localization function, electron density deformation, atoms in molecules, and reduced density gradient analyses. © 2016 Wiley Periodicals, Inc." @default.
- W2424451028 created "2016-06-24" @default.
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- W2424451028 date "2016-06-14" @default.
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- W2424451028 title "Electron density properties and metallophilic interactions of gold halides AuX<sub>2</sub>and Au<sub>2</sub>X (X = F-I):<i>Ab Initio</i>calculations" @default.
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- W2424451028 doi "https://doi.org/10.1002/qua.25183" @default.
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