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
:
| Library | Material Type | Item Barcode | Shelf Number | [[missing key: search.ChildField.HOLDING]] | Status |
|---|
| Online Library | E-Book | 595685-1001 | QD461 .M53 2020 | | Wiley E-Kitap Koleksiyonu |