Atoms in molecules : a quantum theory - download pdf or read online

By Richard F. W. Bader

ISBN-10: 0198551681

ISBN-13: 9780198551683

ISBN-10: 0198558651

ISBN-13: 9780198558651

The molecular constitution hypothesis--the proposition molecule is a set of atoms associated via a community of bonds--provides the relevant technique of ordering and classifying observations in chemistry. it's not, despite the fact that, at once with regards to the physics which govern the motions of atomic nuclei and electrons. this crucial e-book develops a thought constructing that molecular structure--with houses estimated and outlined via the legislation of quantum mechanics--can be defined by way of underlying physics. consequently, the type established upon the concept that of atoms in molecules is free of its empirical constraints and the entire predictive energy of quantum mechanics might be included into the ensuing theory--a concept of atoms in molecules. Eminently obtainable and readable, this distinctive ebook will curiosity all actual scientists who use the techniques of atoms, bonds, and constitution within the interpretation in their paintings

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Here again certain trends were observed, and the most influential factor was the crystal structure which the superconducting material adopted. The most fruitful system was the NaCI-type structure (also referred to as the Bl structure by metallurgists). Many of the important superconductors in this ceramic class are based on this common structure, or one derived from it. Other crystal structures of importance for these ceramic materials include the Pu,Cs and MOB, (or ThSi,) prototypes. A plot of transition temperature versus the number of valence electrons for binary and ternary carbides shows a broad maximum at w5 electrons per atom, with a T, maximum at _ 13 K.

Ordered Perovskite-t_vpe Compounds, A,(BB’)O, Systems: Cubic Fm3m: A feature of the perovskite structure is that, with the proper substitutions, many types of ordered structures can readily be formed. This can be accomplished by the substitution of two suitable metal ions (with different oxidation states) in the octahedral sites of the structure. 8 A unit cell (Figure 15). Partial substitution of different transition metal ions in the octahedral sites is also possible; the general formulation for these compounds would be The parentheses in this formulation enclose atoms A,(B,_,B’,JO,.

2 K, has beendescribedasexhibiting”interface-dominatedsuperconductivity”. By going to mixed-metal systems and incorporating small amounts of oxygen, certain high transition temperatures could be maintained. These metal-rich phases, once again were found to have “interesting” T,‘s. 8 K, respectively). Certain superconducting films also showed enhanced transition temperatures when Historical Introduction and Crystal Chemistry of Oxide Superconductors 21 small amounts of oxygen were introduced. 34 K.

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Atoms in molecules : a quantum theory by Richard F. W. Bader


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