Data for: Two routes to platinum-based carboxylate-bridged heterometallics

Published: 3 April 2020| Version 1 | DOI: 10.17632/ncmffvd7pp.1
Contributors:
Ilya Yakushev, Michael Vargaftik, Natalia Cherkashina, Igor Stolyarov, Alexander Markov, Yan Zubavichus, Andrei Churakov, Alexander Gekhman

Description

Sqlite3 database contains values of QTAIM delocalization index used for plotting Figure 1 and values of electron density, laplacian of electron density, and few others descriptors at bond critical points for complexes PtCo(OOCMe)4(H2O), PtIn(OOCMe)5, PtCo(SOCMe)4(H2O) and palladium analogs.

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Quantum Chemistry

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