Andere Kunden interessierten sich auch für
![Ab Initio Calculations]( "Ab Initio Calculations")
Ab Initio Calculations39,99 €![Mechanistic Studies on Transition Metal-Catalyzed C¿H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods]( "Mechanistic Studies on Transition Metal-Catalyzed C¿H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods")
Mechanistic Studies on Transition Metal-Catalyzed C¿H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods74,99 €![Basis Sets in Computational Chemistry]( "Basis Sets in Computational Chemistry")
Basis Sets in Computational Chemistry95,99 €![Density Functional Theory II]( "Density Functional Theory II")
Density Functional Theory II116,99 €![Hartree-Fock Ab Initio Treatment of Crystalline Systems]( "Hartree-Fock Ab Initio Treatment of Crystalline Systems")
Hartree-Fock Ab Initio Treatment of Crystalline Systems77,99 €![Basis Sets in Computational Chemistry]( "Basis Sets in Computational Chemistry")
Basis Sets in Computational Chemistry110,99 €![Structural Chemistry]( "Structural Chemistry")
Structural Chemistry243,99 €
This textbook covers the framework of first-principles analysis applied to materials using density functional theory (DFT). It provides a set of hands-on tutorials using the Quantum ESPRESSO package, an open-source software for DFT. The tutorials are well chosen, designed for maximum effectiveness while requiring a minimum of the reader's time, and the book describes how the essential components are combined to create the practical applications based on the idea of modeling practical problems of materials. The book carefully explains how to prepare the platform to run the tutorials assisted by free software. This textbook is useful for students in experimental laboratories, for industrial researchers, and for those not majoring in theoretical studies but learning individually.