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Many private companies, including pharmaceutical ones, apply this intellectually primitive, yet often effective method, while searching for new compounds and/or properties
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27844445235
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We know now 116 elements (1-116), while 88 of the most stable ones may be used by a chemist for synthesis of novel materials (1-42, 44-60, 62-83, 89-94) (the usefulness of He, Ne and Ar is, of course, very limited). The number of binary combinations of these 88 elements is equal to 7656, the number of ternary ones more than 658 thousand, and for quaternary ones nearly 56 million (given that one stoichiometric ratio is chosen and fixed!). Systematic synthesis of so large number of compounds exceeds human possibilities in terms of the required time and funding
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15
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27844541300
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note
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Selected results related to this work have been presented by the author during the Modelling and Design of Molecular Materials workshop, Wrocaw(Poland) 17 September 2004. Superconductivity has been then discussed in a broad framework including metallization of nonmetals and semiconductors, influence of the external pressure on the Peierls distortion, dynamics of nuclear motion of the localized/delocalized mixed-valence species (molecular and in the extended phases), and enhancement of vibronic coupling in the vicinity of the avoided crossing of potential energy surfaces
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16
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27844485135
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note
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The values of analytical force constants for the antisymmetric stretching, and also in some cases of bending modes, are often erroneous (see Appendix)
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as, despite the fact that they contain strongly electronegative elements. This is inherently connected with the preference for negatively charged atoms at the ends, and for the positively charged atom in a bridging position, even for homonuclear molecules.
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27844522805
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27844596774
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note
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6 can also be elucidated
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44
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27844547615
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note
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A variety of mixed valence binary fluorides of Sb and Tl is known. These insulators should be exposed to external pressure, to achieve metallization
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45
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27844605030
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(manuscript in preparation)
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6 should show even larger stability
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9: personal communications
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9: Hoffmann R, personal communications
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27844602079
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It seems that holes might be introduced to the hydride band by trivalent Yb and Eu; see Ref. [46]
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50
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27844559703
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note
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In this work, we have investigated computationally the family of unstable radicals, due to their high susceptibility to vibronic coupling. However, partial band filling cannot be achieved easily for related stable solids
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27844599227
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"Ours is a material(s) world, but remarkably, we are still unable to predict the chemical composition, the crystal structure and the physical properties of the most known, and all emerging new materials." Citation from Edwards PP and coauthors, " The fundamental properties of materials ", application to The Leverhulme Trust
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"Ours is a material(s) world, but remarkably, we are still unable to predict the chemical composition, the crystal structure and the physical properties of the most known, and all emerging new materials." Citation from Edwards PP and coauthors, " The fundamental properties of materials ", application to The Leverhulme Trust
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