Density-Functional Methods in Chemistry and Materials Science
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Density-Functional Methods in Chemistry and Materials Science
Springborg, Michael
John Wiley & Sons Inc
08/1997
374
Dura
Inglês
9780471967590
15 a 20 dias
856
Descrição não disponível.
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.
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.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
contents; role; acidity; table; partial; electronegativity; molecular; studies; densityfunctional; calculations; epr parameters; polymeric; electronic properties; structure calculations; crystalline materials; electronic; defects; solids; point
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.
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.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
