(Q57278712)

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The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level

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title

The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level (English)

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main subject

condensed matter physics

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B. Mennucci

2

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author name string

J. Tomasi

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1

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E. Cancès

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3

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publication date

May 1999

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published in

Computational and Theoretical Chemistry

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volume

464

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issue

1-3

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page(s)

211-226

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cites work

Charge penetration in dielectric models of solvation

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https://api.crossref.org/works/10.1016%2FS0166-1280%2898%2900553-3

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7 January 2021

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

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https://api.crossref.org/works/10.1016%2FS0166-1280%2898%2900553-3

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7 January 2021

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Analytical derivatives for geometry optimization in solvation continuum models. II. Numerical applications

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https://api.crossref.org/works/10.1016%2FS0166-1280%2898%2900553-3

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7 January 2021

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

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https://api.crossref.org/works/10.1016%2FS0166-1280%2898%2900553-3

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7 January 2021

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

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7 January 2021

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10.1016/S0166-1280(98)00553-3

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(Q57278712)

The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level

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