Ab Initio Study of Reaction Pathways Related to Initial Steps of Thermal Decomposition of the Layered Double Hydroxide Compounds

2012 ◽  
Vol 116 (25) ◽  
pp. 13679-13687 ◽  
Author(s):  
Deyse G. Costa ◽  
Alexandre B. Rocha ◽  
Wladmir F. Souza ◽  
Sandra Shirley X. Chiaro ◽  
Alexandre A. Leitão
Keyword(s):  
Thermal Decomposition ◽  
Ab Initio ◽  
Layered Double Hydroxide ◽  
Reaction Pathways ◽  
Ab Initio Study ◽  
Double Hydroxide

Structure and thermal decomposition of sulfated β-cyclodextrin intercalated in a layered double hydroxide

2004 ◽  
Vol 177 (1) ◽  
pp. 366-371 ◽  
Author(s):  
Ji Wang ◽  
Min Wei ◽  
Guoying Rao ◽  
David G. Evans ◽  
Xue Duan
Keyword(s):  
Thermal Decomposition ◽  
Layered Double Hydroxide ◽  
Double Hydroxide

scholarly journals Ab Initio Study of CO2 Capture Mechanisms in Monoethanolamine Aqueous Solution: Reaction Pathways from Carbamate to Bicarbonate

2013 ◽  
Vol 37 ◽  
pp. 400-406 ◽  
Author(s):  
Yoichi Matsuzaki ◽  
Hidetaka Yamada ◽  
Firoz A. Chowdhury ◽  
Takayuki Higashii ◽  
Shingo Kazama ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Ab Initio ◽  
Co2 Capture ◽  
Reaction Pathways ◽  
Ab Initio Study ◽  
Solution Reaction

Ab initio study on thermal decomposition of γ-butyrolactone

1999 ◽  
Vol 305 (5-6) ◽  
pp. 474-482 ◽  
Author(s):  
Zhen-Hua Li ◽  
Wen-Ning Wang ◽  
Kang-Nian Fan ◽  
Ming Wah Wong ◽  
Hsing-Hua Huang ◽  
...  
Keyword(s):  
Thermal Decomposition ◽  
Ab Initio ◽  
Ab Initio Study

Theoretical ab initio study of the thermal decomposition of 3-cyclopentenone

1995 ◽  
Vol 330 (1-3) ◽  
pp. 389-393
Author(s):  
L. Bencivenni ◽  
F. Ramondo ◽  
J.J. Quirante
Keyword(s):  
Thermal Decomposition ◽  
Ab Initio ◽  
Ab Initio Study

A Spectroscopic and ab Initio Study of the Formation of Graphite and Carbon Nanotubes from Thermal Decomposition of Silicon Carbide

Nano Letters ◽  
2008 ◽  
Vol 8 (12) ◽  
pp. 4335-4341 ◽  
Author(s):  
Giacomo Levita ◽  
Luca Petaccia ◽  
Alessio Comisso ◽  
Silvano Lizzit ◽  
Rosanna Larciprete ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Thermal Decomposition ◽  
Silicon Carbide ◽  
Ab Initio ◽  
Ab Initio Study
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