Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals-Reference-Cited by-同舟云学术

Charge Density Analysis of Actinide Compounds from the Quantum Theory of Atoms in Molecules and Crystals

Published:2021-02-12 Issue:7 Volume:12 Page:1862-1868
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Cossard Alessandro¹,Desmarais Jacques K.¹,Casassa Silvia¹^ORCID,Gatti Carlo²,Erba Alessandro¹^ORCID

Affiliation:

1. Dipartimento di Chimica, Università di Torino, via Giuria 5, 10125 Torino, Italy

2. CNR-SCITEC, Istituto di Scienze e Tecnologie Chimiche “Giulio Natta”, via C. Golgi 19, 20133 Milano, Italy

Funder

Natural Sciences and Engineering Research Council of Canada

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.1c00100

Reference61 articles.

1. Quantification of f-element covalency through analysis of the electron density: insights from simulation

2. Kaltsoyannis, N.; Hay, P. J.; Li, J.; Blaudeau, J.P.; Bursten, B. E. The chemistry of the actinide and transactinide elements; Springer, 2008; pp 1893–2012.

3. Electronic Structure and Bonding in Actinyl Ions and their Analogs

4. On the inverse trans influence. Density functional studies of [MOX5]n– (M = Pa, n = 2; M = U, n = 1; M = Np, n = 0; X = F, Cl or Br)

5. Computational modeling of actinide materials and complexes

Cited by 12 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Preparation, Characterization, and Biological Activity of La(III), Nd(III), Er(III), Gd(III), and Dy(III) Complexes with Schiff Base Resulted from Reaction of 4-Antipyrinecarboxaldehyde and 2-Aminobenzothiazole;Indonesian Journal of Chemistry;2024-04-01

2. Chemical bonding in Uranium‐based materials: A local vibrational mode case study of Cs 2UO 2Cl 4 and UCl 4 crystals;Journal of Computational Chemistry;2024-01-26

3. Monitoring the reduction of UO3 thin film by hydrogen atoms using valence-level spectroscopy: correlating the U5f1 signal to surface hydroxyls;Frontiers in Fuels;2023-12-08

4. CRYSTALpytools: A Python infrastructure for the Crystal code;Computer Physics Communications;2023-11

5. Nanomaterials Based on Collaboration with Multiple Partners: Zn3Nb2O8 Doped with Eu3+ and/or Amino Substituted Porphyrin Incorporated in Silica Matrices for the Discoloration of Methyl Red;International Journal of Molecular Sciences;2023-05-17