Conceptual Density Functional Theory and Its Application in the Chemical Domain

Forfatter: info mangler
Bog
  • Format
  • Bog, paperback
  • Engelsk

Beskrivelse

In this book, new developments based on conceptual density functional theory (CDFT) and its applications in chemistry are discussed. It also includes discussion of some applications in corrosion and conductivity and synthesis studies based on CDFT. The electronic structure principles—such as the electronegativity equalization principle, the hardness equalization principle, the electrophilicity equalization principle, and the nucleophilicity equalization principle, along studies based on these electronic structure principles—are broadly explained.

In recent years some novel methodologies have been developed in the field of CDFT. These methodologies have been used to explore mutual relationships between the descriptors of CDFT, namely electronegativity, hardness, etc. The mutual relationship between the electronegativity and the hardness depend on the electronic configuration of the neutral atomic species. The volume attempts to cover almost all such methodology.

Conceptual Density Function Theory and Its Application in the Chemical Domain will be an appropriate guide for research students as well as the supervisors in PhD programs. It will also be valuable resource for inorganic chemists, physical chemists, and quantum chemists. The reviews, research articles, short communications, etc., covered by this book will be appreciated by theoreticians as well as experimentalists.

Læs hele beskrivelsen
Detaljer
Størrelse og vægt
  • Vægt780 g
  • coffee cup img
    10 cm
    book img
    15,2 cm
    22,9 cm

    Findes i disse kategorier...

    Se andre, der handler om...

    Velkommen til Saxo – din danske boghandel

    Hos os kan du handle som gæst, Saxo-bruger eller Saxo-medlem – du bestemmer selv. Skulle du få brug for hjælp, sidder vores kundeservice-team klar ved både telefonerne og tasterne.

    Om medlemspriser hos Saxo

    For at købe bøger til medlemspris skal du være medlem af Saxo Premium, Saxo Shopping eller Saxo Ung. De første 7 dage er gratis for nye medlemmer. Medlemskabet fornyes automatisk og kan altid opsiges. Læs mere om fordelene ved vores forskellige medlemskaber her.

    Machine Name: SAXO081