The Spin-Partitioned Total-Position Spread Tensor: An Application To Diatomic Molecules-Reference-Cited by-同舟云学术

The Spin-Partitioned Total-Position Spread Tensor: An Application To Diatomic Molecules

Published:2016-04-28 Issue:27 Volume:120 Page:5230-5238
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Brea Oriana¹²,El Khatib Muammar¹,Bendazzoli Gian Luigi³,Evangelisti Stefano¹,Leininger Thierry¹,Angeli Celestino⁴

Affiliation:

1. Laboratoire de Chimie et Physique Quantiques-LCPQ/IRSAMC, Université de Toulouse (UPS) et CNRS (UMR-5626), 118, Route de Narbonne, Toulouse Cedex 31062, France

2. Departamento de Química, Facultad de Ciencias, Universidad Autónoma de Madrid, Módulo 13 Cantoblanco, 28049 Madrid, Spain

3. Dipartimento di Chimica Industriale “Toso Montanari”, Università di Bologna, Viale Risorgimento 4, I−40136 Bologna, Italy

4. Dipartimento di Scienze Chimiche e Farmaceutiche, Università di Ferrara, Via Fossato di Mortara 17, 44121 Ferrara, Italy

Funder

Agence Nationale de la Recherche

Deutsche Forschungsgemeinschaft

Université de Toulouse

Centre National de la Recherche Scientifique

Ministerio de Educación, Cultura y Deporte

Education, Audiovisual and Culture Executive Agency

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b01043

Reference36 articles.

1. Beryllium Dimer: A Bond Based on Non-Dynamical Correlation

2. Charge-Shift Bonding Emerges as a Distinct Electron-Pair Bonding Family from Both Valence Bond and Molecular Orbital Theories

3. Charge-shift bonding and its manifestations in chemistry

4. A quantum theory of molecular structure and its applications

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

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