Extension of Computational Chemistry to the Study of Lanthanide(III) Ions in Aqueous Solution: Implementation and Validation of a Continuum Solvent Approach-Reference-Cited by-同舟云学术

Extension of Computational Chemistry to the Study of Lanthanide(III) Ions in Aqueous Solution: Implementation and Validation of a Continuum Solvent Approach

Published:2000-07-26 Issue:33 Volume:104 Page:8001-8007
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Cosentino U.¹,Villa A.¹,Pitea D.¹,Moro G.²,Barone V.³

Affiliation:

1. Dipartimento di Scienze dell'Ambiente e del Territorio, Università degli Studi di Milano-Bicocca, P.zza della Scienza 1, 20126 Milano, Italy

2. Dipartimento di Biotecnologie e Bioscienze, Università degli Studi di Milano-Bicocca, P.zza della Scienza 2, 20126 Milano, Italy

3. Dipartimento di Chimica, Università Federico II, via Mezzocannone 4, 80134 Napoli, Italy

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp994022n

Reference38 articles.

1. Gadolinium(III) Chelates as MRI Contrast Agents: Structure, Dynamics, and Applications

2. Lanthanide(III) chelates for NMR biomedical applications

3. Ab initio effective core potential calculations on lanthanide complexes: basis sets and electron correlation effects in the study of [Gd-(H2O)9]3+

4. Ab Initio Investigation of Gadolinium Complexes with Polyamino Carboxylate Ligands and Force Fields Parametrization of Metal−Ligand Interactions

5. Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent

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