Water Exchange Reactions and Hydrolysis of Hydrated Titanium(III) Ions. A Density Functional Theory Study

1999 ◽  
Vol 103 (48) ◽  
pp. 9899-9905 ◽  
Author(s):  
Michael Hartmann ◽  
Timothy Clark ◽  
Rudi van Eldik
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Water Exchange ◽  
Density Functional Theory Study ◽  
Exchange Reactions ◽  
Functional Theory ◽  
Hydrolysis Of ◽  
Hydrated Titanium

ChemInform Abstract: Density Functional Theory Study of Gas Phase Hydrolysis of Titanium Tetrachloride.

ChemInform ◽  
2010 ◽  
Vol 41 (46) ◽  
pp. no-no
Author(s):  
Ani K. John ◽  
S. Savithri ◽  
Kunduchi P. Vijayalakshmi ◽  
Cherumuttahu H. Suresh
Keyword(s):  
Density Functional Theory ◽  
Gas Phase ◽  
Density Functional ◽  
Titanium Tetrachloride ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Hydrolysis Of

ChemInform Abstract: A Density Functional Theory Study of the Gas-Phase Hydrolysis of Dinitrogen Pentoxide

ChemInform ◽  
2010 ◽  
Vol 31 (3) ◽  
pp. no-no
Author(s):  
James A. Snyder ◽  
Denise Hanway ◽  
Julio Mendez ◽  
Alan J. Jamka ◽  
Fu-Ming Tao
Keyword(s):  
Density Functional Theory ◽  
Gas Phase ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Dinitrogen Pentoxide ◽  
Hydrolysis Of

Density Functional Theory Study of Gas Phase Hydrolysis of Titanium Tetrachloride

2010 ◽  
Vol 83 (9) ◽  
pp. 1030-1036 ◽  
Author(s):  
Ani K. John ◽  
S. Savithri ◽  
Kunduchi P. Vijayalakshmi ◽  
Cherumuttathu H. Suresh
Keyword(s):  
Density Functional Theory ◽  
Gas Phase ◽  
Density Functional ◽  
Titanium Tetrachloride ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Hydrolysis Of

Density functional theory studies on the solvent effects in Al(H2O)63+ water-exchange reactions: the number and arrangement of outer-sphere water molecules

2018 ◽  
Vol 20 (10) ◽  
pp. 7342-7350 ◽  
Author(s):  
Li Liu ◽  
Jing Zhang ◽  
Shaonan Dong ◽  
Fuping Zhang ◽  
Ye Wang ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Solvent Effects ◽  
Density Functional ◽  
Water Exchange ◽  
Outer Sphere ◽  
Water Molecules ◽  
Exchange Reactions ◽  
Functional Theory ◽  
The One

The most representative pathway with Nm′ = 6 for the water-exchange reactions in Al(H2O)63+ is obtained by the “One-by-one” method.

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