Ab initio molecular orbital study of the effects of basis set size on the calculated structure and acidity of hydroxyl groups in framework molecular sieves-Reference-Cited by-同舟云学术

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Ab initio molecular orbital study of the effects of basis set size on the calculated structure and acidity of hydroxyl groups in framework molecular sieves

Published:1992-12 Issue:25 Volume:96 Page:10247-10257
ISSN:0022-3654
Container-title:The Journal of Physical Chemistry
language:en
Short-container-title:J. Phys. Chem.

Author:

Nicholas John B.,Winans Randall E.,Harrison Robert J.,Iton Lennox E.,Curtiss Larry A.,Hopfinger Anton J.

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,General Engineering

Link

https://pubs.acs.org/doi/pdf/10.1021/j100204a029

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