Density functional study of the water exchange reaction of the polyoxocation GeO4Al12(OH)24(H2O)128+ (K-GeAl12) in aqueous solution

2009 ◽  
pp. 8013 ◽  
Author(s):  
Zhaosheng Qian ◽  
Hui Feng ◽  
Wenjing Yang ◽  
Xiaoyan Jin ◽  
Shuping Bi
Keyword(s):  
Aqueous Solution ◽  
Exchange Reaction ◽  
Density Functional ◽  
Water Exchange ◽  
Functional Study ◽  
Density Functional Study

A density functional study of the dimerization mechanisms of molybdenum(vi) in aqueous solution

2004 ◽  
Vol 6 (9) ◽  
pp. 2083 ◽  
Author(s):  
Sabri Messaoudi ◽  
Eric Furet ◽  
R�gis Gautier ◽  
Eric Le Fur ◽  
Jean-Yves Pivan
Keyword(s):  
Aqueous Solution ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Density functional study of the Hoffmann elimination of (N-Cl),N-methylethanolamine in gas phase and in aqueous solution

2006 ◽  
Vol 429 (4-6) ◽  
pp. 425-429 ◽  
Author(s):  
D.R. Ramos ◽  
R. Castillo ◽  
M. Canle L. ◽  
M.V. García ◽  
J. Andrés ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Gas Phase ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Comparative density functional study of the complexes [UO2(CO3)3]4− and [(UO2)3(CO3)6]6− in aqueous solution

2010 ◽  
Vol 39 (24) ◽  
pp. 5705 ◽  
Author(s):  
Florian Schlosser ◽  
Lyudmila V. Moskaleva ◽  
Alena Kremleva ◽  
Sven Krüger ◽  
Notker Rösch
Keyword(s):  
Aqueous Solution ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study

Density Functional Study of the Optical Rotation of Glucose in Aqueous Solution

2004 ◽  
Vol 69 (23) ◽  
pp. 8161-8164 ◽  
Author(s):  
Clarissa O. da Silva ◽  
Benedetta Mennucci ◽  
Thom Vreven
Keyword(s):  
Aqueous Solution ◽  
Density Functional ◽  
Optical Rotation ◽  
Functional Study ◽  
Density Functional Study
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