(Q43021518)

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Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects.

scientific article published in June 2010

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scholarly article

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20550410%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

Adsorption of small aromatic molecules on the (111) surfaces of noble metals: A density functional theory study with semiempirical corrections for dispersion effects (English)

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20550410%20AND%20SRC:MED&resulttype=core&format=json

5 February 2020

density functional theory

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based on heuristic

inferred from title

2

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5 February 2020

author name string

Katrin Tonigold

1

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5 February 2020

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1 June 2010

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5 February 2020

Journal of Chemical Physics

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5 February 2020

132

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5 February 2020

22

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5 February 2020

224701

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5 February 2020

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1 reference

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Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements

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Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

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Adsorption of 4-mercaptopyridine on Au(111: a periodic DFT study

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