Revisiting UF6, NpF6 and PuF6 for bonding and molecular surface analysis within density functional theory: Comparative study at the different theory levels with the same basis set-Reference-Cited by-同舟云学术

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Revisiting UF6, NpF6 and PuF6 for bonding and molecular surface analysis within density functional theory: Comparative study at the different theory levels with the same basis set

Published:2021-11 Issue: Volume:209 Page:115452
ISSN:0277-5387
Container-title:Polyhedron
language:en
Short-container-title:Polyhedron

Author:

Büyükmumcu Z.,Selampinar F.

Publisher

Elsevier BV

Subject

Materials Chemistry,Inorganic Chemistry,Physical and Theoretical Chemistry

Reference78 articles.

1. Theoretical actinide molecular science;Schreckenbach;Acc. Chem. Res.,2010

2. Relativistic effects in structural chemistry;Pyykko;Chem. Rev.,1988

3. Nuclear Reactor Physics and Engineering,2020

4. H.C. Aspinall, f-block Chemistry, Oxford Univ. Pr., 2020.

5. Vibrational properties of hexafluoride molecules;Weinstock;Adv. Chem. Phys.,1965

Cited by 2 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. Decoding Chemical Bonds: Assessment of the Basis Set Effect on Overlap Electron Density Descriptors and Topological Properties in Comparison to QTAIM;The Journal of Physical Chemistry A;2023-09-13

2. Periodic trends in trivalent actinide halides, phosphates, and arsenates;Dalton Transactions;2023

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