Atom-Diatom Reactive Scattering Collisions in Protonated Rare Gas Systems.

Debasish Koner, Lizandra Barrios, Tomás González-Lezana, Aditya N Panda

Abstract readReview

In one paragraph

Review in Molecules (Basel, Switzerland), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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4 · The record

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5 · Who and what money

Authors and funding

4 authors.

Debasish KonerDepartment of Chemistry, Indian Institute of Science Education and Research (IISER) Tirupati, Karakambadi Road, Tirupati 517507, Andhra Pradesh, India.ORCID 0000-0002-5116-4908

Lizandra BarriosDepartment of Chemistry, CMS-Centre for Molecular Simulation, IQST-Institute for Quantum Science and Technology and Quantum Alberta, University of Calgary, 2500 University Drive N.W., Calgary, AB T2N 1N4, Canada.

Tomás González-LezanaInstituto de Física Fundamental, IFF-CSIC, Serrano 123, 28006 Madrid, Spain.ORCID 0000-0003-0010-5219

Aditya N PandaDepartment of Chemistry, Indian Institute of Technology Guwahati, Assam 781039, India.ORCID 0000-0002-7002-1232

Funding

Department of Science and Technology, Ministry of Science and Technology, India DST / INSPIRE / 04 / 2019/002108Ministerio de Economía, Industria y Competitividad, Gobierno de España FIS2017-83157-P

6 · The paper itself

Abstract

The study of the dynamics of atom-diatom reactions involving two rare gas (Rg) atoms and protons is of crucial importance given the astrophysical relevance of these processes. In a series of previous studies, we have been investigating a number of such Rg(1)+ Rg(2)H+→ Rg(2)+ Rg(1)H+ reactions by means of different numerical approaches. These investigations comprised the construction of accurate potential energy surfaces by means of ab initio calculations. In this work, we review the state-of-art of the study of these protonated Rg systems making special emphasis on the most relevant features regarding the dynamical mechanisms which govern these reactive collisions. The aim of this work therefore is to provide an as complete as possible description of the existing information regarding these processes.

Indexed as

atom-diatom dynamicsquantum calculationsreactive scatteringstatistical dynamics

Identifiers

PMID34299481

DOI10.3390/molecules26144206

PMCPMC8304066

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