A two-layer ONIOM study of thiophene cracking catalyzed by proton- and cation-exchanged FAU zeolite-Reference-Cited by-同舟云学术

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A two-layer ONIOM study of thiophene cracking catalyzed by proton- and cation-exchanged FAU zeolite

Published:2016-02 Issue:2 Volume:22 Page:
ISSN:1610-2940
Container-title:Journal of Molecular Modeling
language:en
Short-container-title:J Mol Model

Author:

Sun Yingxin,Mao Xinfeng,Pei Supeng

Funder

National Science Foundation of China

Innovation Program of Shanghai Municipal Education Commission

IIASA Young Scientists Summer Program

Training Program for Young College Teachers in Shanghai

Publisher

Springer Science and Business Media LLC

Subject

Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis

Link

http://link.springer.com/content/pdf/10.1007/s00894-016-2916-1.pdf

Reference49 articles.

1. Shan JH, Chen L, Sun LB, Liu XQ (2011) Energ Fuel 25:3093–3099

2. Duan LH, Gao XH, Meng XH, Zhang HT, Wang Q, Qin YC, Zhang XT, Song LJ (2012) J Phys Chem C 116:25748–25756

3. Welters WJJ, Vorbeck G, Zandbergen HW, de Haan JW, de Beer VHJ, van Santen RA (1994) J Catal 150:155–169

4. Hernández-Maldonado AJ, Yang RT (2003) Ind Eng Chem Res 42:123–129

5. Yang RT, Takahashi A, Yang FH (2001) Ind Eng Chem Res 40:6236–6239

Cited by 4 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. ONIOM Study on the Influence of Aluminium in Propylsulfonic Acid‐functionalized ZSM‐5 for Proton Transfer;ChemistrySelect;2023-05-10

2. A theoretical investigation on the hydrodesulphurisation mechanism of hydrogenated thiophene over Cu–Mo-modified FAU zeolite;Molecular Simulation;2022-01-27

3. Understanding the Nature of Transition States in the Confined Nanospace of Different Acidic Zeolites on the Desulfurization Mechanism of Thiophene;The Journal of Physical Chemistry C;2018-12-19

4. New Theoretical Insights into the Contributions of Poly(methylbenzene) and Alkene Cycles to the Methanol to Propene Process in H-FAU Zeolite;The Journal of Physical Chemistry C;2017-07-25

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