Sparkle Model for AM1 Calculation of Lanthanide Complexes: Improved Parameters for Europium-Reference-Cited by-同舟云学术

Sparkle Model for AM1 Calculation of Lanthanide Complexes: Improved Parameters for Europium

Published:2004-03-05 Issue:7 Volume:43 Page:2346-2354
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

Rocha Gerd B.¹,Freire Ricardo O.¹,da Costa, Nivan B.¹,de Sá Gilberto F.¹,Simas Alfredo M.¹

Affiliation:

1. Departamento de Química Fundamental, Universidade de Federal de Pernambuco UFPE, 50.590-470 Recife, Pernambuco Brazil, and Departamento de Química, Universidade Federal de Sergipe UFS, 49.000-100 Aracaju, Sergipe Brazil

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ic034882p

Reference129 articles.

1. Sparkle model for the quantum chemical AM1 calculation of europium complexes

2. Synthesis, structure, computational studies and magnetic properties of a ten-coordinate gadolinium(III) complex

3. Modeling Lanthanide Coordination Complexes. Comparison of Semiempirical and Classical Methods

4. Pseudopotential study on rare earth dihalides and trihalides

5. Effective core potential methods for the lanthanides

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