(Q57564830)

English

Comparison of a combined quantum mechanics/interatomic potential function approach with its periodic quantum-mechanical limit: Proton siting and ammonia adsorption in zeolite chabazite

scholarly article by Martin Paul Brändle et al published 15 December 1998 in Journal of Chemical Physics

In more languages

default for all languages

No label defined

No description defined

Statements

scholarly article

0 references

Comparison of a combined quantum mechanics/interatomic potential function approach with its periodic quantum-mechanical limit: Proton siting and ammonia adsorption in zeolite chabazite (English)

0 references

1 reference

based on heuristic

inferred from title

quantum mechanics

0 references

Martin Paul Brändle

object named as

Martin Brändle

1

0 references

Nicholas Harrison

object named as

Nicholas M. Harrison

4

0 references

2

object named as

Joachim Sauer

0 references

author name string

Roberto Dovesi

3

0 references

language of work or name

0 references

publication date

15 December 1998

0 references

Journal of Chemical Physics

0 references

109

0 references

23

0 references

10379-10389

0 references

Combining ab initio techniques with analytical potential functions. A study of zeolite-adsorbate interactions for NH3 on H-faujasite

1 reference

https://api.crossref.org/works/10.1063%2F1.477693

21 January 2018

Acidity Differences between Inorganic Solids Induced by Their Framework Structure. A Combined Quantum Mechanics/Molecular Mechanics ab Initio Study on Zeolites

1 reference

https://api.crossref.org/works/10.1063%2F1.477693

21 January 2018

Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical Approaches

1 reference

https://api.crossref.org/works/10.1063%2F1.477693

21 January 2018

Molecular models in ab initio studies of solids and surfaces: from ionic crystals and semiconductors to catalysts

1 reference

https://api.crossref.org/works/10.1063%2F1.477693

21 January 2018

Electronic structure calculations on workstation computers: The program system turbomole

1 reference

https://api.crossref.org/works/10.1063%2F1.477693

21 January 2018

Embedded Cluster Model for the ab Initio Study of Broensted Acidity in Zeolites

1 reference

https://api.crossref.org/works/10.1063%2F1.477693

21 January 2018

Crystal structures of the ammonium and hydrogen forms of zeolite rho

1 reference

https://api.crossref.org/works/10.1063%2F1.477693

21 January 2018

Comparison of embedded cluster models to study zeolite catalysis: Proton transfer reactions in acidic chabazite

1 reference

https://api.crossref.org/works/10.1063%2F1.477693

21 January 2018

Identifiers

10.1063/1.477693

0 references

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

Retrieved from "https://www.wikidata.org/w/index.php?title=Q57564830&oldid=1899797407"