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

Başlık
Molecular interactions : concepts and methods

Yazar
Micha, David, author.

ISBN
9781119319078
 
9781119319085
 
9781119319023

Basım Bilgisi
First edition.

Fiziksel Tanımlama
1 online resource

İçerik
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.

Özet
"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.

Notlar
John Wiley and Sons

Konu Terimleri
Chemical bonds.
 
Molecular structure.
 
Molecular dynamics.
 
Molecular Structure
 
Structure moléculaire.
 
Dynamique moléculaire.
 
SCIENCE / Chemistry / Physical & Theoretical.
 
Chemical bonds
 
Molecular dynamics

Elektronik Erişim
https://onlinelibrary.wiley.com/doi/book/10.1002/9781119319085


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