(Q52999084)

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Diabatic free energy curves and coordination fluctuations for the aqueous Ag+Ag2+ redox couple: a biased Born-Oppenheimer molecular dynamics investigation.

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Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

Diabatic free energy curves and coordination fluctuations for the aqueous Ag+Ag2+ redox couple: a biased Born-Oppenheimer molecular dynamics investigation. (English)

1 reference

Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

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Jochen Blumberger

1

1 reference

Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

Ivano Tavernelli

2

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Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

Michael L Klein

3

1 reference

Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

Michiel Sprik

4

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Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

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1 February 2006

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Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

Journal of Chemical Physics

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Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

124

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Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

6

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Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

64507

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Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

On the Theory of Oxidation‐Reduction Reactions Involving Electron Transfer. I

1 reference

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Electrostatic Free Energy and Other Properties of States Having Nonequilibrium Polarization. I

1 reference

https://api.crossref.org/works/10.1063%2F1.2162881

21 January 2018

On the Theory of Oxidation‐Reduction Reactions Involving Electron Transfer. II. Applications to Data on the Rates of Isotopic Exchange Reactions

1 reference

https://api.crossref.org/works/10.1063%2F1.2162881

21 January 2018

On the Theory of Electron‐Transfer Reactions. VI. Unified Treatment for Homogeneous and Electrode Reactions

1 reference

https://api.crossref.org/works/10.1063%2F1.2162881

21 January 2018

Unified Approach for Molecular Dynamics and Density-Functional Theory

1 reference

https://api.crossref.org/works/10.1063%2F1.2162881

21 January 2018

Ab initio molecular dynamics for molecules with variable numbers of electrons.

1 reference

https://api.crossref.org/works/10.1063%2F1.2162881

21 January 2018

Electronic structure and solvation of copper and silver ions: a theoretical picture of a model aqueous redox reaction.

1 reference

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21 January 2018

Density-functional molecular-dynamics study of the redox reactions of two anionic, aqueous transition-metal complexes.

1 reference

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21 January 2018

Canonical dynamics: Equilibrium phase-space distributions

1 reference

https://api.crossref.org/works/10.1063%2F1.2162881

21 January 2018

Density-functional exchange-energy approximation with correct asymptotic behavior

1 reference

https://api.crossref.org/works/10.1063%2F1.2162881

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%2F1.2162881

21 January 2018

Density functional calculation of the electronic absorption spectrum of Cu+ and Ag+ aqua ions.

1 reference

https://api.crossref.org/works/10.1063%2F1.2162881

21 January 2018

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

1 reference

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21 January 2018

High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases

1 reference

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21 January 2018

Identifiers

10.1063/1.2162881

1 reference

Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

10 May 2018

http://europepmc.org/abstract/MED/16483220

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