Theoretical Chemistry in Belgium A Topical Collection from Theoretical Chemistry Accounts için kapak resmi
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.
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