Literature DB >> 16284667

Simple models for hydrophobic hydration.

Siegfried Höfinger1, Francesco Zerbetto.   

Abstract

This tutorial review compares models that describe DeltaG(cavitation). Their qualitative agreement suggests the use of the simple, time-honored Pierotti equation. Its coefficients, fine-tuned with atomistic simulations, give a revised Pierotti approach, rPA. A discussion of the extension of the rPA model to non-spherical solutes is presented and the different roles of molecular volume and surface area of the solute are brought together. The tutorial review is aimed at experimentalists and theoreticians interested in the description of solvent effects.

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Year:  2005        PMID: 16284667     DOI: 10.1039/b504088b

Source DB:  PubMed          Journal:  Chem Soc Rev        ISSN: 0306-0012            Impact factor:   54.564


  4 in total

1.  Dispersion terms and analysis of size- and charge dependence in an enhanced Poisson-Boltzmann approach.

Authors:  Parimal Kar; Max Seel; Ulrich H E Hansmann; Siegfried Höfinger
Journal:  J Phys Chem B       Date:  2007-07-12       Impact factor: 2.991

Review 2.  Implicit Solvation Methods for Catalysis at Electrified Interfaces.

Authors:  Stefan Ringe; Nicolas G Hörmann; Harald Oberhofer; Karsten Reuter
Journal:  Chem Rev       Date:  2021-12-20       Impact factor: 72.087

Review 3.  When Molecules Meet in Water-Recent Contributions of Supramolecular Chemistry to the Understanding of Molecular Recognition Processes in Water.

Authors:  Stefan Kubik
Journal:  ChemistryOpen       Date:  2022-04       Impact factor: 2.630

4.  Inside or outside the box? Effect of substrate location on coordination-cage based catalysis.

Authors:  Atena B Solea; Burin Sudittapong; Christopher G P Taylor; Michael D Ward
Journal:  Dalton Trans       Date:  2022-08-02       Impact factor: 4.569

  4 in total

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