Issue 7, 1991

An ab initio molecular orbital study of silanol–hydrogen complexes: a model for the interaction of hydrogen with silicate hydroxyl groups

Abstract

The geometry of the weak van der Waals complex formed between H2 and silanol is determined by high level ab initio molecular orbital methods and is shown to provide a good model for H2 adsorption complexes on silicates and zeolites.

Article information

Article type
Paper

J. Chem. Soc., Chem. Commun., 1991, 455-456

An ab initio molecular orbital study of silanol–hydrogen complexes: a model for the interaction of hydrogen with silicate hydroxyl groups

W. B. de Almeida and P. J. O'Malley, J. Chem. Soc., Chem. Commun., 1991, 455 DOI: 10.1039/C39910000455

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