Ab initio dynamics of hydrogen abstraction from N2H4 by OH radicals: an RRKM-based master equation study-Reference-Cited by-同舟云学术

Ab initio dynamics of hydrogen abstraction from N2H4 by OH radicals: an RRKM-based master equation study

Published:2019 Issue:42 Volume:21 Page:23733-23741
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Mai Tam V.-T.¹²³⁴⁵^ORCID,Nguyen Hieu T.¹²³⁴^ORCID,Huynh Lam K.⁶⁷³⁴^ORCID

Affiliation:

1. Molecular Science and Nano-Materials Lab

2. Institute for Computational Science and Technology

3. Ho Chi Minh City

4. Vietnam

5. University of Science

6. International University

7. Vietnam National University – HCMC

Abstract

The detailed kinetic mechanism of the N₂H₄ + OH reaction is comprehensively reported for a wide condition range of conditions (i.e., 200–3000 K & 1–7600 Torr) using the CCSD(T)/CBS//M06-2X/6-311++G(3df,2p) level and the RRKM-based master equation rate model.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP04585F

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