Direct ab initio study of the C6H6+ CH3/C2H5= C6H5+ CH4/C2H6 reactions-Reference-Cited by-同舟云学术

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Direct ab initio study of the C6H6+ CH3/C2H5= C6H5+ CH4/C2H6 reactions

Published:2016-02 Issue: Volume:646 Page:102-109
ISSN:0009-2614
Container-title:Chemical Physics Letters
language:en
Short-container-title:Chemical Physics Letters

Author:

Mai Tam V.-T.,Ratkiewicz Artur,Duong Minh v.,Huynh Lam K.

Funder

Institute for Computational Science and Technology

International University

VNU-HCM

Asian Office of Aerospace Research & Development

Vietnam National Foundation for Science and Technology Development

University of Warsaw

Computer Center of University of Bialystok

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference50 articles.

1. Calculations of Rate Coefficients for the Chemically Activated Reactions of Acetylene with Vinylic and Aromatic Radicals

2. Kinetic Modeling of Coke Formation during Steam Cracking

3. Reactivity Indices for Radical Reactions Involving Polyaromatics

4. Group Additive Values for the Gas-Phase Standard Enthalpy of Formation, Entropy and Heat Capacity of Oxygenates

5. Reactivity–Structure-Based Rate Estimation Rules for Alkyl Radical H Atom Shift and Alkenyl Radical Cycloaddition Reactions

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2. Rate constants for H-atom abstraction reactions from mono-aromatic hydrocarbons by H, CH3, OH and 3O2: A systematic theoretical investigation;Combustion and Flame;2022-10

3. Toward Efficient Direct Dynamics Studies of Chemical Reactions: A Novel Matrix Completion Algorithm;Journal of Chemical Theory and Computation;2022-06-06

4. A matrix completion algorithm for efficient calculation of quantum and variational effects in chemical reactions;The Journal of Chemical Physics;2022-05-14

5. A computational study of the HO₂+ SO₃→ HOSO₂+³O₂reaction catalyzed by a water monomer, a water dimer and small clusters of sulfuric acid: kinetics and atmospheric implications;Physical Chemistry Chemical Physics;2022

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