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· 제목 : Density-Functional Methods in Chemistry & Materials Science (Hardcover) 
· 분류 : 외국도서 > 과학/수학/생태 > 과학 > 화학 > 물리화학
· ISBN : 9780471967590
· 쪽수 : 374쪽
· 분류 : 외국도서 > 과학/수학/생태 > 과학 > 화학 > 물리화학
· ISBN : 9780471967590
· 쪽수 : 374쪽
목차
Partial table of contents:
Acidity and Basicity: The Role of Electronegativity, Hardness and Softness (P. Geerlings, et al.).
Some Recent Density-Functional Studies of Molecular Systems (M. Springborg).
Clusters -
A Density-Functional Story (R. Jones).
Calculations of EPR Parameters and Radical-Matrix Interactions (L. Eriksson).
Structural and Electronic Properties of Polymeric Systems (M. Springborg).
Electronic Structure Calculations for Crystalline Materials (V. Eyert).
Point Defects in Solids (M. Puska & M. Nieminen).
Cluster Expansions: The Link Between Density-Functional Methods and Alloy Thermodynamics.
Index.
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