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Chemical change, second-order description

Liu S, Parr RG (1997) Second-order density-functional description of molecules and chemical changes. J Chem Phys 106(13) 5578-5586... [Pg.153]

For the network-forming elements, EXAFS will be used to detect some occasional change in coordination numbers and bonding distances, as a function of chemical composition or thermal treatment. For network-modifying or doping elements, two main problems have to be solved (i) the nature of the coordination shell and (ii) the description of the second shell which characterizes the degree of local order. [Pg.20]

See other pages where Chemical change, second-order description is mentioned: [Pg.112]    [Pg.1092]    [Pg.9]    [Pg.526]    [Pg.43]    [Pg.9]    [Pg.122]    [Pg.196]    [Pg.205]    [Pg.196]    [Pg.498]    [Pg.666]    [Pg.339]    [Pg.109]    [Pg.115]    [Pg.170]    [Pg.327]    [Pg.101]    [Pg.103]    [Pg.287]    [Pg.25]    [Pg.192]   


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