Effective bond orders from two-step spin–orbit coupling approaches: The I2, At2, IO+, and AtO+ case studies-Reference-Cited by-同舟云学术

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Effective bond orders from two-step spin–orbit coupling approaches: The I2, At2, IO+, and AtO+ case studies

Published:2015-03-07 Issue:9 Volume:142 Page:094305
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Maurice Rémi¹,Réal Florent²,Gomes André Severo Pereira²^ORCID,Vallet Valérie²^ORCID,Montavon Gilles¹,Galland Nicolas³

Affiliation:

1. SUBATECH, CNRS UMR 6457, IN2P3/EMN Nantes/Université de Nantes, 4 rue Alfred Kastler, BP 20722, 44307 Nantes Cedex 3, France

2. Laboratoire PhLAM, CNRS UMR 8523, Université de Lille, 59655 Villeneuve d’Ascq Cedex, France

3. CEISAM, UMR CNRS 6230, Université de Nantes, 2 rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3, France

Funder

Agence Nationale de la Recherche (L' Agence Nationale de la Recherche)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4913738

Reference65 articles.

1. Reaching the Maximum Multiplicity of the Covalent Chemical Bond

2. A quantum theory of molecular structure and its applications

3. QTAIM Analysis in the Context of Quasirelativistic Quantum Calculations

4. A simple measure of electron localization in atomic and molecular systems

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2. Excited states of polonium(iv): electron correlation and spin–orbit coupling in the Po⁴⁺ free ion and in the bare and solvated [PoCl₅]⁻ and [PoCl₆]²⁻ complexes;Physical Chemistry Chemical Physics;2023

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