Molecular interactions : concepts and methods
by
 
Micha, David, author.

Title
Molecular interactions : concepts and methods

Author
Micha, David, author.

ISBN
9781119319078
 
9781119319085
 
9781119319023

Edition
First edition.

Physical Description
1 online resource

Contents
Fundamental concepts -- Molecular properties -- Quantitative treatment of intermolecular forces -- Model potential functions -- Intermolecular states -- Many-electron treatments -- Interactions between two many-atom systems -- Interaction of molecules with surfaces.

Abstract
"Chapters in this book begin with coverage of the concepts and methods for simpler systems, then move on to more advanced subjects for complex systems. Each chapter begins with qualitative aspects before these are treated in quantitative fashion. The first four chapters include the established concepts and quantitative aspects of long-range (electrostatic, induction and dispersion) forces and how they extend to intermediate and short ranges, for ground and excited states. They are followed by chapters dealing with recent developments including electronically non-adiabatic interactions, correlated many-electron treatments, generalized density functional theory, decomposition and embedding of molecular fragments for large systems, and very recent developments using artificial intelligence with network training for many-atom systems"-- Provided by publisher.

Local Note
John Wiley and Sons

Subject Term
Chemical bonds.
 
Molecular structure.
 
Molecular dynamics.
 
Molecular Structure
 
Structure moléculaire.
 
Dynamique moléculaire.
 
SCIENCE / Chemistry / Physical & Theoretical.
 
Chemical bonds
 
Molecular dynamics

Electronic Access
https://onlinelibrary.wiley.com/doi/book/10.1002/9781119319085


LibraryMaterial TypeItem BarcodeShelf Number[[missing key: search.ChildField.HOLDING]]Status
Online LibraryE-Book595685-1001QD461 .M53 2020Wiley E-Kitap Koleksiyonu