Molecular orbital model of the influence of interaction between O2 and aluminosilicate sites on the triplet-singlet energy gap and reactivity.

Pérez-Badell, Yoana

Molecular orbital model of the influence of interaction between O2 and aluminosilicate sites on the triplet-singlet energy gap and reactivity. [electronic resource] - Journal of molecular graphics & modelling Jun 2010 - 746-54 p. digital

Publication Type: Journal Article; Research Support, Non-U.S. Gov't

1873-4243

10.1016/j.jmgm.2010.01.012 doi


Aluminum Silicates--chemistry
Computer Simulation
Models, Chemical
Oxygen--chemistry
Quantum Theory
Static Electricity