(Q46442168)

English

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

scientific article published in March 2005

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scholarly article

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Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

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 (English)

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

Jeffrey R. Reimers

2

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

3

object named as

Noel S Hush

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

1

object named as

Ante Bilić

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

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publication date

1 March 2005

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

Journal of Chemical Physics

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

122

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

9

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

094708

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

Pulling monatomic gold wires with single molecules: an Ab initio simulation.

1 reference

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21 January 2018

Measurement of single-molecule resistance by repeated formation of molecular junctions

1 reference

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21 January 2018

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1 reference

https://api.crossref.org/works/10.1063%2F1.1850455

21 January 2018

Reproducible measurement of single-molecule conductivity

1 reference

https://api.crossref.org/works/10.1063%2F1.1850455

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1 reference

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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

1 reference

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Accurate and simple analytic representation of the electron-gas correlation energy

1 reference

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The fate of sulfur-bound hydrogen on formation of self-assembled thiol monolayers on gold: (1)H NMR spectroscopic evidence from solutions of gold clusters.

1 reference

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21 January 2018

A bond-fluctuation mechanism for stochastic switching in wired molecules

1 reference

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First-principles calculation of transport properties of a molecular device

1 reference

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21 January 2018

Density-functional method for nonequilibrium electron transport

1 reference

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21 January 2018

Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes

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21 January 2018

Generalized Gradient Approximation Made Simple

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Self-interaction correction to density-functional approximations for many-electron systems

1 reference

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21 January 2018

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

https://api.crossref.org/works/10.1063%2F1.1850455

21 January 2018

Gold-thiolate complexes: a density functional study of geometry and electronic structure

1 reference

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21 January 2018

Theoretical study of the Cl1s and 2p near edge photoabsorption spectra of HCl by accurate ab-initio configuration interaction and density functional approaches

1 reference

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Quantized conductance through individual rows of suspended gold atoms

1 reference

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Identifiers

10.1063/1.1850455

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

22 December 2017

http://europepmc.org/abstract/MED/15836163

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