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Decomposition Mechanism of Ethanol Molecule on the Nano-Boron Surface: An Experimental and DFT Study
SSRN Electronic Journal
◽
10.2139/ssrn.3972776
◽
2021
◽
Author(s):
Xiaolong Zhao
◽
Baozhong Zhu
◽
Yunlan Sun
◽
Jiuyu Chen
◽
Jianzhong Liu
Keyword(s):
Decomposition Mechanism
◽
Dft Study
◽
Ethanol Molecule
Download Full-text
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References
DFT study of bio-oil decomposition mechanism on a Co stepped surface: Acetic acid as a model compound
International Journal of Hydrogen Energy
◽
10.1016/j.ijhydene.2014.11.004
◽
2015
◽
Vol 40
(1)
◽
pp. 330-339
◽
Cited By ~ 36
Author(s):
Xinbao Li
◽
Shurong Wang
◽
Yingying Zhu
◽
Guohua Yang
◽
Pengjun Zheng
Keyword(s):
Acetic Acid
◽
Model Compound
◽
Decomposition Mechanism
◽
Dft Study
◽
Bio Oil
◽
Stepped Surface
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Thermal unimolecular decomposition mechanism of 2,4,6-trinitrotoluene: a first-principles DFT study
Theoretical Chemistry Accounts
◽
10.1007/s00214-009-0720-z
◽
2010
◽
Vol 127
(4)
◽
pp. 327-344
◽
Cited By ~ 20
Author(s):
Xiao-Fang Chen
◽
Ji-Feng Liu
◽
Zi-Hui Meng
◽
Ke-Li Han
Keyword(s):
First Principles
◽
Decomposition Mechanism
◽
Dft Study
◽
Unimolecular Decomposition
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DFT Study for Adsorption and Decomposition Mechanism of Trimethylene Oxide on Al(111) Surface
Bulletin of the Korean Chemical Society
◽
10.5012/bkcs.2014.35.7.2013
◽
2014
◽
Vol 35
(7)
◽
pp. 2013-2018
Author(s):
Cai-Chao Ye
◽
Jie Sun
◽
Feng-Qi Zhao
◽
Si-Yu Xu
◽
Xue-Hai Ju
Keyword(s):
Decomposition Mechanism
◽
Dft Study
◽
Trimethylene Oxide
Download Full-text
DFT Study of the Decomposition Mechanism of H2S on V-decorated Ti2CO2 Single-Atom Catalyst
Acta Physico-Chimica Sinica
◽
10.3866/pku.whxb202007086
◽
2020
◽
Vol 0
(0)
◽
pp. 2007086-0
Author(s):
Junhui Zhou
◽
Zhimin Ao
◽
Taicheng An
Keyword(s):
Decomposition Mechanism
◽
Dft Study
◽
Single Atom
Download Full-text
DFT study of the effect of hidrocarbonated chains on the electronic properties of some oligothiophene derivatives
10.3390/ecsoc-13-00147
◽
2009
◽
Author(s):
Manuel Fernández-Gómez
◽
Amparo Navarro
◽
MªPaz Fernández-Liencres
◽
Mónica Moral
◽
José Manuel Granadino-Roldán
◽
...
Keyword(s):
Electronic Properties
◽
Dft Study
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A DFT STUDY ON THE STRUCTURAL AND ELECTRONIC PROPERTIES OF SMALL TOXIC GASES ON B- AND Al-DOPED C20 FULLERENE
Журнал структурной химии
◽
10.15372/jsc20170403
◽
2017
◽
Keyword(s):
Electronic Properties
◽
Dft Study
◽
Toxic Gases
◽
C20 Fullerene
◽
Structural And Electronic Properties
Download Full-text
DFT study of L-alanines Crystal, Molecule and Three Linear Molecules for Optoelectronic Behavior
International Journal of Scientific Research in Physics and Applied Sciences
◽
10.26438/ijsrpas/v6i4.2327
◽
2018
◽
Vol 6
(4)
◽
pp. 23-27
◽
Cited By ~ 2
Author(s):
N.T. Tayade
◽
A.T. Shende
◽
M.P. Tirpude
Keyword(s):
Dft Study
◽
Linear Molecules
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A Combined Bond-Valence and Periodic DFT Study of the Active Sites in M1 Phase of MoVTeNbO Composite Oxide Catalyst
CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION)
◽
10.3724/sp.j.1088.2010.00415
◽
2010
◽
Vol 31
(10)
◽
pp. 1286-1292
Author(s):
Yihan ZHU
◽
Weimin LU
◽
Xue DONG
◽
Yang WANG
◽
Fei MA
Keyword(s):
Active Sites
◽
Oxide Catalyst
◽
Bond Valence
◽
Dft Study
◽
M1 Phase
◽
Composite Oxide
◽
Periodic Dft
Download Full-text
Thermal Decomposition Mechanism of HNNO2H Dissociated from Mononitrobiuret and 1,5-Dinitrobiuret
10.21236/ada610824
◽
2014
◽
Author(s):
Hongyan Sun
◽
Ghanshyam L. Vaghjiani
Keyword(s):
Thermal Decomposition
◽
Decomposition Mechanism
◽
Thermal Decomposition Mechanism
Download Full-text
Structural and Piezoelectric Properties of BSb under High Pressure: a DFT Study
Journal of Nano- and Electronic Physics
◽
10.21272/jnep.11(5).05004
◽
2019
◽
Vol 11
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◽
pp. 05004-1-05004-4
Author(s):
Salah Daoud
◽
Keyword(s):
High Pressure
◽
Piezoelectric Properties
◽
Dft Study
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