The low temperature D+ + H2 → HD + H+ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study-Reference-Cited by-同舟云学术

The low temperature D+ + H2 → HD + H+ reaction rate coefficient: a ring polymer molecular dynamics and quasi-classical trajectory study

Published:2018 Issue:41 Volume:20 Page:26752-26763
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Bhowmick Somnath¹²³⁴^ORCID,Bossion Duncan⁵⁶⁷⁸⁹,Scribano Yohann⁵⁶⁷⁸⁹^ORCID,Suleimanov Yury V.¹²³⁴^ORCID

Affiliation:

1. Computation-based Science and Technology Research Center

2. The Cyprus Institute

3. Nicosia 2121

4. Cyprus

5. Laboratoire Univers et Particules de Montpellier

6. UMR-CNRS 5299

7. Université de Montpellier

8. 34095 Montpellier

9. France

Abstract

The D⁺ + H₂ → HD + H⁺ reaction rate coefficient has been calculated at low temperatures (20–100 K) by ring polymer molecular dynamics and quasi-classical trajectory methods.

Funder

European Regional Development Fund

Research Promotion Foundation

European Cooperation in Science and Technology

Institut National des Sciences de l'Univers, Centre National de la Recherche Scientifique

Commissariat à l'Énergie Atomique et aux Énergies Alternatives

Centre National d'Etudes Spatiales

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP05398G

Reference98 articles.

1. Infrared Emissivities of H_{2} and HD

2. The thermal balance of the first structures in the primordial gas

3. Atomic and molecular processes in the early Universe

4. The Impact of HD Cooling on the Formation of the First Stars

Cited by 14 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Ring-Polymer Molecular Dynamics Calculations of Thermal Rate Coefficients and Branching Ratios for the Interstellar H3+ + CO → H2 + HCO+/HOC+ Reaction and Its Deuterated Analogue;The Journal of Physical Chemistry A;2021-12-17

2. Assessing parameters for ring polymer molecular dynamics simulations at low temperatures: DH + H chemical reaction;Chemical Physics Letters;2021-06

3. Temperature dependence of the rate coefficient of formation of CN radical from C + NH;Chemical Physics Letters;2021-05

4. Isotopic separation of helium through graphyne membranes: a ring polymer molecular dynamics study;Physical Chemistry Chemical Physics;2021

5. Theoretical H + O3 rate coefficients from ring polymer molecular dynamics on an accurate global potential energy surface: assessing experimental uncertainties;Physical Chemistry Chemical Physics;2021