TY  - GEN
AU  - Pérez-Badell,Yoana
AU  - Crespo-Otero,Rachel
AU  - Méndez-Vega,Enrique
AU  - Montero,Luis A
TI  - Molecular orbital model of the influence of interaction between O2 and aluminosilicate sites on the triplet-singlet energy gap and reactivity
SN  - 1873-4243
PY  - 2010///0812
KW  - Aluminum Silicates
KW  - chemistry
KW  - Computer Simulation
KW  - Models, Chemical
KW  - Oxygen
KW  - Quantum Theory
KW  - Static Electricity
N1  - Publication Type: Journal Article; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1016/j.jmgm.2010.01.012
ER  -