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A study of the intermolecular interactions of the propargyl esters of selenophosphoric acid

✍ Scribed by V. V. Turkevich; Ya. I. Mel'nik; A. P. Vas'kin; A. S. Koretskii

Book ID
104842449
Publisher
Springer US
Year
1975
Tongue
English
Weight
166 KB
Volume
22
Category
Article
ISSN
0021-9037

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✍ Meijer, Evert Jan; Sprik, Michiel πŸ“‚ Article πŸ“… 1996 πŸ› American Institute of Physics 🌐 English βš– 265 KB

We have tested the performance of three frequently used density functionals (LDA, LDA+B, and LDA+B+LYP) in a study of the intermolecular interactions of benzene. Molecular geometries are satisfactory, with the gradient-corrected density functionals yielding slightly better results. The quadrupole mo