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Should environmental effects be included when performing QTAIM calculations on actinide systems? A comparison of QTAIM metrics for Cs2UO2Cl4, U(Se2PPh2)4 and Np(Se2PPh2)4 in gas phase, COSMO and PEECM (2016)

First Author: Wellington J

Attributed to: Theoretical studies of actinide complexation with macrocyclic ligands: identifying synthetic targets and real-world applications funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1016/j.poly.2016.02.048

Publication URI: http://dx.doi.org/10.1016/j.poly.2016.02.048

Type: Journal Article/Review

Parent Publication: Polyhedron

ISSN: 0277-5387