Potential Functions for Silica and Zeolite Catalysts Based on ab Initio Calculations. 3. A Shell Model Ion Pair Potential for Silica and Aluminosilicates-Reference-Cited by-同舟云学术

Potential Functions for Silica and Zeolite Catalysts Based on ab Initio Calculations. 3. A Shell Model Ion Pair Potential for Silica and Aluminosilicates

Published:1996-01-01 Issue:26 Volume:100 Page:11043-11049
ISSN:0022-3654
Container-title:The Journal of Physical Chemistry
language:en
Short-container-title:J. Phys. Chem.

Author:

Schröder Klaus-Peter¹,Sauer Joachim¹

Affiliation:

1. Max Planck Society, Research Unit “Quantum Chemistry” at the Humboldt University, Jägerstrasse 10/11, D-10117 Berlin, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,General Engineering

Link

https://pubs.acs.org/doi/pdf/10.1021/jp953405s

Reference49 articles.

1. GULP (the General Utility Lattice Program) written and developed by J. D. Gale, Royal Institution/Imperial College, UK, 1992−1994.

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