Rationalization of the Solvation Effects on the AtO+ Ground-State Change-Reference-Cited by-同舟云学术

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Rationalization of the Solvation Effects on the AtO+ Ground-State Change

Published:2013-08-28 Issue:36 Volume:117 Page:10589-10595
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Ayed Tahra¹,Réal Florent²,Montavon Gilles³,Galland Nicolas¹

Affiliation:

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

2. PhLAM, UMR CNRS 8523, Université de Lille 1, Bât. P5, 59655 Villeneuve d’Ascq Cedex, France

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

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp406803e

Reference27 articles.

1. [211At]Astatine-Labeled Compound Stability: Issues with Released [211At]Astatide and Development of Labeling Reagents to Increase Stability

2. Astatine Radiopharmaceuticals: Prospects and Problems

3. Enigmatic astatine

4. Assessment of an effective quasirelativistic methodology designed to study astatine chemistry in aqueous solution

5. Introducing the ELF Topological Analysis in the Field of Quasirelativistic Quantum Calculations

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3. Spin–orbit coupling is the key to unraveling intriguing features of the halogen bond involving astatine;Physical Chemistry Chemical Physics;2020

4. Equation-of-motion coupled-cluster theory based on the 4-component Dirac–Coulomb(–Gaunt) Hamiltonian. Energies for single electron detachment, attachment, and electronically excited states;The Journal of Chemical Physics;2018-11-07

5. Quantum calculations of At-mediated halogen bonds: on the influence of relativistic effects;New Journal of Chemistry;2018

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