Theoretical and computational inorganic chemistry /

The Advances in Inorganic Chemistry series present timely and informative summaries of the current progress in a variety of subject areas within inorganic chemistry, ranging from bio-inorganic to solid state studies. This acclaimed serial features reviews written by experts in the field and serves a...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Eldik, Rudi van, Harvey, Jeremy
Formato: Electrónico eBook
Idioma:Inglés
Publicado: London ; Burlington, MA : Academic Press, 2010.
Edición:1st ed.
Colección:Elsevier chemistry book series.
Advances in inorganic chemistry ; v., 62.
Temas:
Chemistry, Inorganic.
Chemistry, Physical and theoretical.
Chemistry > Data processing.
Mineralogical chemistry.
Cheminformatics.
Chimie inorganique.
Chimie physique et th�eorique.
Chimio-informatique.
inorganic chemistry.
physical chemistry.
SCIENCE > Chemistry > Inorganic.
Mineralogical chemistry
Cheminformatics
Chemistry > Data processing
Chemistry, Inorganic
Chemistry, Physical and theoretical
Acceso en línea:Texto completo
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Tabla de Contenidos:
  • Cover; Advances in Inorganic Chemistry; Copyright; Contents; List of Contributors; Preface; Molecular Mechanics for Transition Metal Centers:From Coordination Complexes to Metalloproteins; Calculation of Magnetic Circular Dichroism SpectraWith Time-Dependent Density Functional Theory; Theoretical Investigation of Solvent Effects and Complex Systems: Towardthe calculations of bioinorganic systems from ab initio molecular dynamicssimulations and static quantum chemistry; Simulations of Liquids and Solutions Basedon Quantum Mechanical Forces; Spin Interactions in Cluster Chemistry.

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