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Quantum Chemical Topology Study of the Water-Platinum(II) Interaction

✍ Scribed by Bergès, Jacqueline; Fourré, Isabelle; Pilmé, Julien; Kozelka, Jiri

Book ID
120396525
Publisher
American Chemical Society
Year
2013
Tongue
English
Weight
1000 KB
Volume
52
Category
Article
ISSN
0020-1669

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The interaction between nitrate anion and water has been investigated Ž . by Hartree᎐Fock calculations with the 6-311 q G d, p basis set and by B3LYP density functional calculations with the aug-cc-pVTZ basis set. It is found that the global energy minimum is a planar configuration where both hydrog