(Q57619016)

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Implementation of aZ-matrix approach within the SIESTA periodic boundary conditions code and its application to surface adsorption

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Implementation of aZ-matrix approach within the SIESTA periodic boundary conditions code and its application to surface adsorption (English)

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R. C. Hoft

1

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J. D. Gale

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2

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M. J. Ford

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3

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publication date

July 2006

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published in

Molecular Simulation

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volume

32

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issue

8

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page(s)

595-600

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cites work

The SIESTA method forab initioorder-Nmaterials simulation

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https://api.crossref.org/works/10.1080%2F08927020600900337

retrieved

21 January 2018

Generalized Gradient Approximation Made Simple

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reference URL

https://api.crossref.org/works/10.1080%2F08927020600900337

retrieved

21 January 2018

Self-assembled monolayers of thiolates on metals as a form of nanotechnology

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Crossref

reference URL

https://api.crossref.org/works/10.1080%2F08927020600900337

retrieved

21 January 2018

The structure, energetics, and nature of the chemical bonding of phenylthiol adsorbed on the Au(111) surface: implications for density-functional calculations of molecular-electronic conduction

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1080%2F08927020600900337

retrieved

21 January 2018

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10.1080/08927020600900337

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(Q57619016)

Implementation of aZ-matrix approach within the SIESTA periodic boundary conditions code and its application to surface adsorption

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