Computational Chemistry and Molecular Modeling Principles and Applications /

The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autores principales: Ramachandran, K. I. (Autor), Deepa, Gopakumar (Autor), Namboori, Krishnan (Autor)
Autor Corporativo: SpringerLink (Online service)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2008.
Edición:1st ed. 2008.
Temas:
Chemistry, Physical and theoretical.
Chemistry-Data processing.
Chemometrics.
Physical chemistry.
Theoretical Chemistry.
Computational Chemistry.
Mathematical Applications in Chemistry.
Physical Chemistry.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • Symmetry and Point Groups
  • Quantum Mechanics: A Brief Introduction
  • Hückel Molecular Orbital Theory
  • Hartree-Fock Theory
  • Basis Sets
  • Semiempirical Methods
  • The Ab Initio Method
  • Density Functional Theory
  • Reduced Density Matrix
  • Molecular Mechanics
  • The Modeling of Molecules Through Computational Methods
  • High Performance Computing
  • Research in Computational Chemistry and Molecular Modeling
  • Basic Mathematics for Computational Chemistry.

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