(Q57685395)

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Time-dependent density functional theory for molecules in liquid solutions

article published in 2001

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title

Time-dependent density functional theory for molecules in liquid solutions (English)

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main subject

liquid

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density functional theory

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time-dependent density functional theory

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2

Vincenzo Barone

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Maurizio Cossi

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1

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Maurizio Cossi

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language of work or name

English

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publication date

8 September 2001

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published in

Journal of Chemical Physics

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volume

115

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issue

10

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page(s)

4708-4717

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cites work

Perspectives on Semiempirical Molecular Orbital Theory

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1394921

retrieved

21 January 2018

Density-Functional Theory for Time-Dependent Systems

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Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1394921

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21 January 2018

Excitation Energies from Time-Dependent Density-Functional Theory

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Crossref

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https://api.crossref.org/works/10.1063%2F1.1394921

retrieved

21 January 2018

Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics

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Crossref

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https://api.crossref.org/works/10.1063%2F1.1394921

retrieved

21 January 2018

Intrinsic and Environmental Effects in the Structure and Magnetic Properties of Glycine Radical in Aqueous Solution

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https://api.crossref.org/works/10.1063%2F1.1394921

retrieved

21 January 2018

Recent Advances in the Description of Solvent Effects with the Polarizable Continuum Model

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https://api.crossref.org/works/10.1063%2F1.1394921

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21 January 2018

Analytical second derivatives of the free energy in solution by polarizable continuum models

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https://api.crossref.org/works/10.1063%2F1.1394921

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21 January 2018

Analytical derivatives for geometry optimization in solvation continuum models. I. Theory

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https://api.crossref.org/works/10.1063%2F1.1394921

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21 January 2018

Excited states and solvatochromic shifts within a nonequilibrium solvation approach

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https://api.crossref.org/works/10.1063%2F1.1394921

retrieved

21 January 2018

Polarizable dielectric model of solvation with inclusion of charge penetration effects

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reference URL

https://api.crossref.org/works/10.1063%2F1.1394921

retrieved

21 January 2018

Comment on “Reaction field treatment of charge penetration” [J. Chem. Phys. 112, 5558 (2000)]

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https://api.crossref.org/works/10.1063%2F1.1394921

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21 January 2018

Quantum Calculation of Molecular Energies and Energy Gradients in Solution by a Conductor Solvent Model

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reference URL

https://api.crossref.org/works/10.1063%2F1.1394921

retrieved

21 January 2018

COSMO: a new approach to dielectric screening in solvents with explicit expressions for the screening energy and its gradient

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1394921

retrieved

21 January 2018

Reaction field treatment of charge penetration

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.1394921

retrieved

21 January 2018

Identifiers

DOI

10.1063/1.1394921

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(Q57685395)

Time-dependent density functional theory for molecules in liquid solutions

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