TY  - JOUR
AU  - Omar, Salama 
AU  - Palomar, Jose 
AU  - Gómez-Sainero, Luisa 
AU  - Álvarez-Montero, Maria 
AU  - Martín Martínez, María
AU  - Rodriguez, Juan
PY  - 2011
DO  - 10.1021/jp200329j
SN  - 1932-7447
UR  - https://hdl.handle.net/20.500.14352/97488
T2  - The Journal of Physical Chemistry C
AB  - A density functional theory (DFT) analysis has been conducted for the gas-phase hydrodechlorination (HDC) of dichloromethane (DCM) with palladium catalyst to achieve a better knowledge of the reaction mechanism involved in the HDC process, which...
LA  - eng
M2  - 14180
PB  - American Chemical Society
TI  - Density functional theory analysis of dichloromethane and hydrogen interaction with Pd clusters: first step to simulate catalytic hydrodechlorination
TY  - journal article
VL  - 115
ER  -