Atom-Diatom Reactive Scattering Collisions in Protonated Rare Gas Systems

被引:3
|
作者
Koner, Debasish [1 ]
Barrios, Lizandra [2 ]
Gonzalez-Lezana, Tomas [3 ]
Panda, Aditya N. [4 ]
机构
[1] Indian Inst Sci Educ & Res IISER Tirupati, Dept Chem, Karakambadi Rd, Tirupati 517507, Andhra Pradesh, India
[2] Univ Calgary, IQST Inst Quantum Sci & Technol & Quantum Alberta, CMS Ctr Mol Simulat, Dept Chem, 2500 Univ Dr NW, Calgary, AB T2N 1N4, Canada
[3] IFF CSIC, Inst Fis Fundamental, Serrano 123, Madrid 28006, Spain
[4] Indian Inst Technol Guwahati, Dept Chem, Gauhati 781039, Assam, India
来源
MOLECULES | 2021年 / 26卷 / 14期
关键词
reactive scattering; atom-diatom dynamics; quantum calculations; statistical dynamics; POTENTIAL-ENERGY SURFACE; ION-MOLECULE REACTIONS; DEPENDENT WAVE-PACKET; AB-INITIO; NOBLE-GAS; QUANTUM DYNAMICS; GROUND-STATE; HYDROGEN; COMPLEXES; CLUSTERS;
D O I
10.3390/molecules26144206
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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.
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页数:25
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