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Benedetta Mennucci
Researcher at University of Pisa
Publications - 365
Citations - 53968
Benedetta Mennucci is an academic researcher from University of Pisa. The author has contributed to research in topics: Polarizable continuum model & Solvation. The author has an hindex of 75, co-authored 349 publications receiving 48307 citations. Previous affiliations of Benedetta Mennucci include University of Seville & Hungarian Academy of Sciences.
Papers
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Quantum mechanical continuum solvation models.
TL;DR: This paper presents a meta-modelling procedure called "Continuum Methods within MD and MC Simulations 3072", which automates the very labor-intensive and therefore time-heavy and expensive process of integrating discrete and continuous components into a discrete-time model.
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A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics
TL;DR: In this paper, a new integral equation formulation of the polarizable continuum model (PCM) is presented, which allows one to treat in a single approach dielectrics of different nature: standard isotropic liquids, intrinsically anisotropic medialike liquid crystals and solid matrices, or ionic solutions.
Gaussian 09W, revision A. 02
Michael J. Frisch,G.W. Trucks,H.B. Schlegel,G.E. Scuseria,Robb,J.R. Cheeseman,G. Scalmani,V. Barone,Benedetta Mennucci,G.A. Petersson +9 more
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Continuum solvation models: A new approach to the problem of solute’s charge distribution and cavity boundaries
Benedetta Mennucci,Jacopo Tomasi +1 more
TL;DR: In this article, the authors present a method which allows a very refined treatment of solute's charge tails in the outer space; some numerical results of solutes in water will be shown and discussed.
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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
TL;DR: The integral equation formalism (IEF) as mentioned in this paper is a recent method addressed to solve the electrostatic solvation problem at the QM level with the aid of apparent surface charges (ASC).