Density functional theory was used to study the mechanism for the oxidation of methanol to formaldehyde. A vanadium oxide cluster OΒΌ ΒΌV(OH) 3 has been utilized to represent the catalytic system under hydrated conditions, i.e., in the presence of VΓ ΓOH hydroxyl groups. Two types of methoxy-intermedi
β¦ LIBER β¦
A Density Functional Study of Methanol Clusters
β Scribed by Boyd, Susan L.; Boyd, Russell J.
- Book ID
- 120027034
- Publisher
- American Chemical Society
- Year
- 2006
- Tongue
- English
- Weight
- 184 KB
- Volume
- 3
- Category
- Article
- ISSN
- 1549-9618
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Density functional theory study of the o
β
P. GonzΓ‘lez-Navarrete; L. Gracia; M. Calatayud; J. AndrΓ©S
π
Article
π
2010
π
John Wiley and Sons
π
English
β 1013 KB
Size-dependent structures of Na[sub n]I[
β
Misaizu, Fuminori; Tsuruta, Mamoru; Tsunoyama, Hironori; Furuya, Ari; Ohno, Koic
π
Article
π
2005
π
American Institute of Physics
π
English
β 696 KB
Clusters of aluminium, a density functio
β
Ahlrichs, Reinhart; Elliott, Simon D.
π
Article
π
1999
π
Royal Society of Chemistry
π
English
β 304 KB
Density Functional Study of Palladium Cl
β
Paola Nava; Marek Sierka; Reinhart Ahlrichs
π
Article
π
2003
π
John Wiley and Sons
β 50 KB
π 2 views
A density functional study of small nick
β
M. C. Michelini; R. Pis Diez; A. H. Jubert
π
Article
π
1998
π
John Wiley and Sons
π
English
β 304 KB
π 2 views
Small nickel clusters up to the tetramer are investigated within the framework of the local spin density functional theory. Several competitive states are studied for the dimer. Both the geometry and the spin state are optimized for several starting symmetries in the case of the trimer and the tetra
A density-functional study of small tita
β
Wei, S. H.; Zeng, Zhi; You, J. Q.; Yan, X. H.; Gong, X. G.
π
Article
π
2000
π
American Institute of Physics
π
English
β 389 KB