Prediction of the interaction strength of an urea‐based probe toward ions in water by means of Density Functional Theory/Polarizable Continuum Model calculations-Reference-Cited by-同舟云学术

Prediction of the interaction strength of an urea‐based probe toward ions in water by means of Density Functional Theory/Polarizable Continuum Model calculations

Published:2022-03-08 Issue:12 Volume:122 Page:
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J of Quantum Chemistry

Author:

Benda Robert¹²^ORCID,Vezin Thomas¹,Lebental Bérengère¹³

Affiliation:

1. LPICM, CNRS, Ecole Polytechnique Institut Polytechnique de Paris Palaiseau France

2. CERMICS, Ecole des Ponts and INRIA Paris Marne‐la‐Vallée France

3. COSYS‐LISIS, Université Gustave Eiffel, IFSTTAR Marne‐la‐Vallée France

Funder

European Research Council

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/qua.26901

Reference85 articles.

1. On the recognition of chloride, bromide and nitrate anions by anthracene–squaramide conjugated compounds: a computational perspective

2. Optical chemosensors for water sample analysis

3. Metal Cation Detection in Drinking Water

4. Drinking water quality and chronic kidney disease of unknown etiology (CKDu): synergic effects of fluoride, cadmium and hardness of water

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