Electron density : concepts, computation and DFT applications
tarafından
 
Chattaraj, Pratim Kumar, editor.

Başlık
Electron density : concepts, computation and DFT applications

Yazar
Chattaraj, Pratim Kumar, editor.

ISBN
9781394217656
 
9781394217649
 
9781394217632

Fiziksel Tanımlama
1 online resource (xxvi, 582 pages)

Özet
"Electron density is the measure of the probability of finding an electron in a particular location in an atom or molecule. It is observable and can be measured experimentally. Density Functional Theory (DFT) is a quantum chemical computational method based on electron density. DFT can be used to determine structural, magnetic and electronic properties of molecules. DFT constitutes the work horse for modern computational chemistry and physics and has been very successful in analyzing and rationalizing numerous physicochemical processes. However, there are also challenging situations where DFT fails to predict and/or analyze several experimentally observed phenomena, and application is difficult for very large systems such as biological systems due to the limitations on computational resources"-- Provided by publisher.

Notlar
John Wiley and Sons

Konu Terimleri
Electron distribution.
 
Density functionals.
 
Densité électronique.
 
Fonctionnelles densité.
 
Physical & Theoretical.
 
Chemistry.
 
SCIENCE.

Tür
Electronic books.

Yazar Ek Girişi
Chattaraj, Pratim Kumar,
 
Chakraborty, Debdutta,

Tüzel Kişi Ek Girişi
John Wiley & Sons,

Elektronik Erişim
https://onlinelibrary.wiley.com/doi/book/10.1002/9781394217656


KütüphaneMateryal TürüDemirbaş NumarasıYer Numarası[[missing key: search.ChildField.HOLDING]]Durumu/İade Tarihi
Çevrimiçi KütüphaneE-Kitap599244-1001QC793.5 .E626 E44 2024Wiley E-Kitap Koleksiyonu