Benchmarking Density Functional Methods for Calculation of State Energies of First Row Spin-Crossover Molecules-Reference-Cited by-同舟云学术

Benchmarking Density Functional Methods for Calculation of State Energies of First Row Spin-Crossover Molecules

Published:2018-11-01 Issue:22 Volume:57 Page:14097-14105
ISSN:0020-1669
Container-title:Inorganic Chemistry
language:en
Short-container-title:Inorg. Chem.

Author:

Cirera Jordi¹,Via-Nadal Mireia¹,Ruiz Eliseo¹^ORCID

Affiliation:

1. Departament de Química Inorgànica i Orgànica and Institut de Recerca de Química Teòrica i Computacional, Universitat de Barcelona, Diagonal 645, 08028 Barcelona, Spain

Funder

European Regional Development Fund

Ministerio de Econom?a y Competitividad

Instituci? Catalana de Recerca i Estudis Avan?ats

Publisher

American Chemical Society (ACS)

Subject

Inorganic Chemistry,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.inorgchem.8b01821

Reference104 articles.

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4. Über die magnetische Susceptibilität der komplexen Verbindungen

5. Spin Transitions in six-coordinate iron(II) complexes

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