A New-Generation Density Functional Towards Chemical Accuracy for Chemistry of Main Group Elements
tarafından
 
Zhang, Igor Ying. author.

Başlık
A New-Generation Density Functional Towards Chemical Accuracy for Chemistry of Main Group Elements

Yazar
Zhang, Igor Ying. author.

ISBN
9783642404214

Basım Bilgisi
1st ed. 2014.

Fiziksel Tanımlama
IX, 110 p. 31 illus., 15 illus. in color. online resource.

Seri
SpringerBriefs in Molecular Science,

İçerik
An overview of modern density functional theory (DFT) -- A new generation of doubly hybrid density functionals (DHDFs) -- Benchmarking the performance of DHDFs for the main group chemistry -- XYG3 results for some selected applications -- Concluding remarks.

Konu Terimleri
Chemistry, Physical and theoretical.
 
Quantum physics.
 
Bioinformatics.
 
Chemistry -- Data processing.
 
Theoretical Chemistry.
 
Computational and Systems Biology.
 
Computational Chemistry.

Yazar Ek Girişi
Xu, Xin.

Tüzel Kişi Ek Girişi
SpringerLink (Online service)

Elektronik Erişim
https://doi.org/10.1007/978-3-642-40421-4


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