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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
Nicholas, John B., Winans, Randall E., Harrison, Robert J., Iton, Lennox E., Curtiss, Larry A., Hopfinger, Anton J.Volume:
96
Language:
english
Journal:
The Journal of Physical Chemistry
DOI:
10.1021/j100204a029
Date:
December, 1992
File:
PDF, 1.40 MB
english, 1992