Intermolecular Forces and Clusters I

ISBN-13: 9783540281948 / Angielski / Twarda / 2005 / 206 str.

P.W. Fowler;I.W. Jenneskens;C. Nillot

Opis

Table of contents P.L.A. Popelier: Quantum Chemical Topology: on Bonds and Potentials.- A. Soncini, P.W. Fowler, L.W. Jenneskens: Angular Momentum and Spectral Decomposition of Ring Currents: Aromaticity and the Annulene Model.- S.L. Price, L.S. Price: Modelling Intermolecular Forces for Organic Crystal Structure Prediction.- C. Millot: Molecular Dynamics Simulations and Intermolecular Forces.- S. Tsuzuki: Interactions with Aromatic Rings

Recenzje

"Like other members of the Structure and Bonding series, the present volume is a collection of reviews, here intended to describe the present state-of-the-art in the construction and use of intermolecular force fields. In particular, this is Part I of a two-part collection dedicated to Anthony J. Stone, a pioneer in both high-level ab initio quantum chemistry and the theory and practice of intermolecular forces. ...

Several of the authors have studied with Anthony Stone, and threads of his seminal work show up throughout the volume. ...

Overall,..., the literature citations are current, and Intermolecular Forces and Clusters is well-produced."

 

from: P. E. Siska, University of Pittsburgh, J. Am. Soc. 2006, 128 S. 9981

Spis treści

P.L.A. Popelier: Quantum Chemical Topology: on Bonds and Potentials.-

A. Soncini, P.W. Fowler, L.W. Jenneskens: Angular Momentum and Spectral Decomposition of Ring Currents: Aromaticity and the Annulene Model.-

S.L. Price, L.S. Price: Modelling Intermolecular Forces for Organic Crystal Structure Prediction.-

C. Millot: Molecular Dynamics Simulations and Intermolecular Forces.-

S. Tsuzuki: Interactions with Aromatic Rings