Cluster embedding in an elastic polarizable environment: Density functional study of Pd atoms adsorbed at oxygen vacancies of MgO(001)-Reference-Cited by-同舟云学术

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Cluster embedding in an elastic polarizable environment: Density functional study of Pd atoms adsorbed at oxygen vacancies of MgO(001)

Published:2001-11 Issue:17 Volume:115 Page:8157-8171
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Nasluzov Vladimir A.,Rivanenkov Vladimir V.,Gordienko Alexey B.,Neyman Konstantin M.,Birkenheuer Uwe,Rösch Notker

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.1407001

Reference72 articles.

1. A strictly variational procedure for cluster embedding based on the extended subspace approach

2. Structure and reactivity of silica and zeolite catalysts by a combined quantum mechanics[ndash ]shell-model potential approach based on DFT

3. The h = 0 term in Coulomb sums by the Ewald transformation

4. Computer simulation of zeolite structure and reactivity using embedded cluster methods

5. Frozen orbital QM/MM methods for density functional theory

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4. Effect of oxygen vacancies on the resistive switching behavior of hexagonal WO3 nanowire;Materials Research Express;2019-05-21

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