scholarly journals Comparative density functional theory study on the relative gas phase enthalpies and free energies of formation for the mono- through hepta-halogenated (X=F, Cl, Br) anthraquinones

2010 ◽  
Author(s):  
Sierra Rayne ◽  
Kaya Forest
Keyword(s):  
Density Functional Theory ◽  
Gas Phase ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Free Energies ◽  
Functional Theory

Thermochemistry of gas phase CF2 reactions: A density functional theory study

2000 ◽  
Vol 113 (10) ◽  
pp. 4103-4108 ◽  
Author(s):  
Kenneth K. S. Lau ◽  
Karen K. Gleason ◽  
Bernhardt L. Trout
Keyword(s):  
Density Functional Theory ◽  
Gas Phase ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

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
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