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Quantum-chemical investigation of phosphoryl halides and thiophosphoryl halides

✍ Scribed by V. V. Pen'kovskii; A. Müller

Book ID
112364047
Publisher
Springer
Year
1977
Tongue
English
Weight
679 KB
Volume
12
Category
Article
ISSN
0040-5760

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Electron affinities of heavier phosphory
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✍ T. Zeng; Z. Jamshidi; H. Mori; E. Miyoshi; M. Klobukowski 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 139 KB

## Abstract We carried out computational studies of OPX~3~ and SPX~3~ (X = Br and I) molecules and their corresponding anions using density functional theory, Møller‐Plesset, and CCSD(T) methods with newly developed model core potentials (MCP). Reliabilities of the MCP were demonstrated by comparin