Structural, Vibrational and Electronic properties of Ice


Marketed By :  VDM Verlag Dr. Müller   Sold By :  Kamal Books International  
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  • Product Description

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.

Product Specifications
SKU :COC42607
AuthorRina Malhotra Fernandes
Number of Pages64
Publishing Year2010-05-11T00:00:00.000
Edition1 st
Book TypeChemistry
Country of ManufactureIndia
Product BrandVDM Verlag Dr. Müller
Product Packaging InfoBox
In The Box1 Piece
Product First Available On ClickOnCare.com2015-01-08 00:00:00
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