Monoligand Zn(II) Complexes: Ab Initio Benchmark Calculations and Comparison with Density Functional Theory Methodologies-Reference-Cited by-同舟云学术

Monoligand Zn(II) Complexes: Ab Initio Benchmark Calculations and Comparison with Density Functional Theory Methodologies

Published:2008-01-16 Issue:2 Volume:4 Page:243-256
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Rayón Víctor M.¹,Valdés Haydee¹,Díaz Natalia¹,Suárez Dimas¹

Affiliation:

1. Departamento de Química Física y Química Inorgánica, Facultad de Ciencias, Universidad de Valladolid, 47005 Valladolid, Spain, Center for Biomolecules and Complex Molecular Systems, Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, 16610 Prague 6, Czech Republic, and Departamento de Química Física y Analítica, Facultad de Química, Universidad de Oviedo, 33007 Oviedo, Spain

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct700229e

Reference57 articles.

1. Coupled-cluster approach to molecular structure and spectra: a step toward predictive quantum chemistry

2. Systematically convergent basis sets for transition metals. I. All-electron correlation consistent basis sets for the 3d elements Sc–Zn

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