A computational study of the electronic structure and stability of complexes formed between
Zeolite Y and boric acid was carried out at the HF and B3LYP levels using 6-31G* basis set.
Five structures located as local minimum in PES of complex (structures d, e, f, g, and h). The
most stable structure is formed due to hydrogen bonding between two hydroxyl of boric acid
and both oxygen of AlO2 in Zeolite (structure e).
Zendehdel, M., & Solimannejad, M. (2013). Interaction between NaY Zeolite and boric Acid: a preliminary computational study. Chemistry of Solid Materials, 1(2), 57-63.
MLA
Mojgan Zendehdel; M Solimannejad. "Interaction between NaY Zeolite and boric Acid: a preliminary computational study". Chemistry of Solid Materials, 1, 2, 2013, 57-63.
HARVARD
Zendehdel, M., Solimannejad, M. (2013). 'Interaction between NaY Zeolite and boric Acid: a preliminary computational study', Chemistry of Solid Materials, 1(2), pp. 57-63.
VANCOUVER
Zendehdel, M., Solimannejad, M. Interaction between NaY Zeolite and boric Acid: a preliminary computational study. Chemistry of Solid Materials, 2013; 1(2): 57-63.
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