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Intermolecular Forces and Clusters I (Structure and Bonding)
 
 
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Intermolecular Forces and Clusters I (Structure and Bonding) [Hardcover]

D. Wales (Editor), P.W. Fowler (Contributor), I.W. Jenneskens (Contributor), C. Nillot (Contributor), P.L.A. Popelier (Contributor), L.S. Price (Contributor), S.L. Price (Contributor), A. Soncini (Contributor), S. Tsuzuki (Contributor)

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Book Description

Structure and Bonding October 1, 2005
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

Editorial Reviews

Review

"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

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Inside This Book (learn more)
Key Phrases - Statistically Improbable Phrases (SIPs): (learn more)
electronegativity alternation, structure prediction studies, crystal structure prediction methods, virial field, quantum chemical topology, supermolecule method, atomic interaction line, initio charge density, lattice energy minimisation, organic crystal structures, topological atoms, diatropic ring, toluene dimer, benzene dimer, conventional hydrogen bonds, naphthalene dimer, bond critical point, model intermolecular potentials, angular momentum mixing, perimeter model, basis set dependence, bond path, calculated interaction energy, induced multipoles, angular momentum shell
Key Phrases - Capitalized Phrases (CAPs): (learn more)
Chem Phys, Phys Chem, Chem Soc, Comput Chem, Mol Phys, Acta Crystallogr, Phys Rev, Cryst Eng Comm, New York, Chem Rev, Theor Chem Acc, Acc Chem Res, Chem Eur, Chemische Krystallographie, Comp Chem, Monte Carlo, Quant Chem, American Chemical Society, Angew Chem Int Edit, Cambridge Structural Database, Molec Phys, Polymorph Predictor, Springer-Verlag Berlin Heidelberg, Struc Bond, Accounts Chem Res
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