TY  - GEN 
AU  - García Algarra, Andrés
AU  - Fernández-Trujillo Rey, María Jesús
AU  - García Basallote, Manuel
A4  - Ciencia de los Materiales e Ingeniería Metalúrgica y Química Inorgánica
PY  - 2012
UR  - http://hdl.handle.net/10498/20506
AB  - For many years it has been known that the nine water molecules in [M3Q4(H2O)9]4+ cuboidal clusters (M= Mo, W; Q=S, Se) can be replaced by entering ligands, such as chloride or thiocyanate, and kinetic studies carried out mainly on the substitution of...
LA  - eng
PB  - Willey
KW  - cluster compounds
KW  - density functional calculations
KW  - kinetics
KW  - statistical kinetics
KW  - TD-DFT
TI  - A DFTand TD-DFTApproach to the Understanding of Statistical Kinetics in Substitution Reactions of M3Q4 (M=Mo, W; Q=S, Se) Cuboidal Clusters
DO  - 10.1002/chem.201102629
ER  -