Published 2007
by John Wiley in Hoboken, N.J .
Written in
Edition Notes
Includes index.
| Statement | edited by Benedetta Mennucci and Roberto Cammi. |
| Contributions | Mennucci, Benedetta., Cammi, Roberto. |
| Classifications | |
|---|---|
| LC Classifications | QD543 .C735 2007 |
| The Physical Object | |
| Pagination | p. cm. |
| ID Numbers | |
| Open Library | OL17976459M |
| ISBN 10 | 9780470029381 |
| LC Control Number | 2007024029 |
Description This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Devoted to solvation models in which reviews of the theory, the computational implementation. Continuum Solvation Models in Chemical Physics: From Theory to Applications presents and discusses the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Continuum Solvation Models in Chemical Physics: From Theory to Application Book January with Reads How we measure 'reads' A 'read' is counted each time someone views a . Continuum Solvation Models in Chemical Physics: From Theory to Application.
Introduction to Continuum Solvation Models. Most reactions we are concerned with actually go on in some kind of fluid medium rather than in the gas phase at zero degrees Kelvin. (There is the interesting but impractical philosophical point that the commonest reaction in the universe is H2 + proton >> H3+ at 3 degrees Kelvin. Buy Continuum Solvation Models in Chemical Physics: From Theory to Applications 1 by Benedetta Mennucci, Roberto Cammi (ISBN: ) from Amazon's Book Store. Everyday low prices and free delivery on eligible : Hardcover. Chemical Physics Letters. Volume , Issues 1–3, 19 January , A new formulation of the conductor-like polarizable continuum model is presented, to extend this approach to infinite periodic systems. Solutes with one-dimensional (polymers) and two-dimensional (surfaces) periodicity can be described. Continuum solvation model for Cited by: 8. This book covers the theory and applications of continuum solvation models. The main focus is on the quantum-mechanical version of these models, but classical approaches and combined or hybrid techniques are also discussed. Devoted to solvation.
The most usual self-consistent reaction field (SCRF) continuum models for the description of solvation within the quantum mechanical (QM) framework are reviewed, trying to emphasize their common roots as well as the inherent approximations assumed in the calculation of the free energy of solvation. Benedetta Mennucci and Roberto Cammi are the authors of Continuum Solvation Models in Chemical Physics: From Theory to Applications, published by Wiley. More about Benedetta Mennucci. In continuum solvation models the definition of a cavity that embeds the solute molecule leads to problems related to the portion of solute’s electronic charge lying outside its boundaries (charge Cited by: In continuum solvation models the whole Hö R(r) term is eliminated and the total Hamiltonian is reduced to an effective Hamiltonian (EH) for the solute in the form In this approach in fact, there is no need to get a detailed description of the solvent, it being sufficient to have a good description of the interaction.
