Performance of the Effective Core Potentials of Ca, Hg, and Pb in Complexes with Ligands Containing N and O Donor Atoms-Reference-Cited by-同舟云学术

Performance of the Effective Core Potentials of Ca, Hg, and Pb in Complexes with Ligands Containing N and O Donor Atoms

Published:2006-08-30 Issue:6 Volume:2 Page:1510-1519
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ramírez José-Zeferino¹,Vargas Rubicelia¹,Garza Jorge¹,Hay Benjamin P.¹

Affiliation:

1. Departamento de Química, Universidad Autónoma Metropolitana Iztapalapa, Apartado Postal 55-534, 09340, México, D. F., México, and Chemical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct050319f

Reference73 articles.

1. Ligand design for selective complexation of metal ions in aqueous solution

2. Metal Complexes in Aqueous Solutions

3. Thermodynamic and Kinetic Data for Macrocycle Interaction with Cations, Anions, and Neutral Molecules

4. New Method for Calculating Wave Functions in Crystals and Molecules

5. Abinitioeffective core potentials: Reduction of all‐electron molecular structure calculations to calculations involving only valence electrons

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