Theoretical Studies on the UO22+ and Sr2+ Complexation by Phosphoryl-Containing OPR3 Ligands: QM ab Initio Calculations in the Gas Phase and MD FEP Calculations in Aqueous Solution-Reference-Cited by-同舟云学术

Theoretical Studies on the UO22+ and Sr2+ Complexation by Phosphoryl-Containing OPR3 Ligands: QM ab Initio Calculations in the Gas Phase and MD FEP Calculations in Aqueous Solution

Published:1998-05-01 Issue:21 Volume:102 Page:3773-3781
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Hutschka F.¹,Dedieu A.¹,Troxler L.¹,Wipff G.¹

Affiliation:

1. UMR 7551, Institut de Chimie, Université Louis Pasteur, 4, rue Bloise Pascal, 67 000 Strasbourg, France

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9804695

Reference49 articles.

1. New Separation Chemistry Techniques for Radioactive Waste and Other Specific Applications

2. Stereognostic coordination chemistry. 1. The design and synthesis of chelators for the uranyl ion

3. Calculation of interaction energies in host-guest systems

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