Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution <i>via</i> relativistic quantum embedding calculations-Reference-Cited by-同舟云学术

Simulating core electron binding energies of halogenated species adsorbed on ice surfaces and in solution via relativistic quantum embedding calculations

Published:2022 Issue:23 Volume:24 Page:14390-14407
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Opoku Richard A.¹^ORCID,Toubin Céline¹^ORCID,Gomes André Severo Pereira¹^ORCID

Affiliation:

1. Univ. Lille, CNRS, UMR 8523 – PhLAM – Physique des Lasers Atomes et Molécules, F-59000 Lille, France

Abstract

Exploring the K and L-edge spectra of chlorine species on ice and in liquid solutions via relativistic EOM-IP-in-DFT embedding calculations.

Funder

Agence Nationale de la Recherche

Deutsche Forschungsgemeinschaft

European Regional Development Fund

Ministère de l'Education Nationale, de l'Enseignement Superieur et de la Recherche

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05836C

Reference112 articles.

1. Stratospheric ozone depletion: A review of concepts and history

2. Interactions of Atmospheric Trace Gases with Ice Surfaces: Adsorption and Reaction

3. Benzene Photolysis on Ice: Implications for the Fate of Organic Contaminants in the Winter

4. HCl adsorption on ice at low temperature: a combined X-ray absorption, photoemission and infrared study

5. Surface Chemical Properties of Eutectic and Frozen NaCl Solutions Probed by XPS and NEXAFS

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