
Başlık:
Theoretical Chemistry in Belgium A Topical Collection from Theoretical Chemistry Accounts
Yazar:
Champagne, Benoît. editor.
ISBN:
9783642413155
Basım Bilgisi:
1st ed. 2014.
Fiziksel Tanımlama:
VI, 288 p. 158 illus., 98 illus. in color. online resource.
Seri:
Highlights in Theoretical Chemistry, 6
İçerik:
From the Contents: Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces -- Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems -- Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical forms -- Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method.
Tüzel Kişi Ek Girişi:
Elektronik Erişim:
https://doi.org/10.1007/978-3-642-41315-5Kopya: