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Structural, Vibrational and Electronic properties of Ice

Jezik EngleskiEngleski
Knjiga Meki uvez
Knjiga Structural, Vibrational and Electronic properties of Ice Rina Malhotra Fernandes
Libristo kod: 06833148
Nakladnici VDM Verlag, svibanj 2010
The availability of roboust quantum chemical codes and the extraordinary improvement of computer cap... Cijeli opis
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The availability of roboust quantum chemical codes and the extraordinary improvement of computer capabilities are among the causes of the great growth of Quantum Mechanical simulations in Chemistry, Solid State Physics and Material Science. The CRYSTAL code can compute a wide spectrum of Solid State properties of crystalline materials: minimum-energy structure, harmonic vibrational frequencies, thermodynamic properties, band structures, density of states, electronic density, X- rays factors, Compton pro les, piezoelectricity, etc. Simulations, however, do not constitute an orthogonal reality with respect to that of the loboratory. The experience of the last years has demonstrated the substantial incompleteness of both ones or that the collaboration between theoreticians and experimentalists is a necessity for either one.

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Informacije o knjizi

Puni naziv Structural, Vibrational and Electronic properties of Ice
Autor Rina Malhotra Fernandes
Jezik Engleski
Uvez Knjiga - Meki uvez
Datum izdanja 2010
Broj stranica 64
EAN 9783639257304
ISBN 3639257308
Libristo kod 06833148
Nakladnici VDM Verlag
Težina 104
Dimenzije 152 x 229 x 4

Kategorija

Mathematics & Science > Chemistry
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