Электронная книга: Peter Comba «Modeling of Molecular Properties»

Modeling of Molecular Properties

Molecular modeling encompasses applied theoretical approaches and computational techniques to model structures and properties of molecular compounds and materials in order to predict and / or interpret their properties. The modeling covered in this book ranges from methods for small chemical to large biological molecules and materials. With its comprehensive coverage of important research fields in molecular and materials science, this is a must-have for all organic, inorganic and biochemists as well as materials scientists interested in applied theoretical and computational chemistry. The 28 chapters, written by an international group of experienced theoretically oriented chemists, are grouped into four parts: Theory and Concepts; Applications in Homogeneous Catalysis; Applications in Pharmaceutical and Biological Chemistry; and Applications in Main Group, Organic and Organometallic Chemistry. The various chapters include concept papers, tutorials, and research reports.

Издательство: "John Wiley&Sons Limited"

ISBN: 9783527636426

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См. также в других словарях:

  • Molecular graphics — (MG) is the discipline and philosophy of studying molecules and their properties through graphical representation.[1] IUPAC limits the definition to representations on a graphical display device .[2] Ever since Dalton s atoms and Kekulé s benzene …   Wikipedia

  • Molecular model — A molecular model, in this article, is a physical model that represents molecules and their processes. The creation of mathematical models of molecular properties and behaviour is molecular modelling, and their graphical depiction is molecular… …   Wikipedia

  • Molecular structure — The molecular structure of a substance is described by the combination of nuclei and electrons that comprise its constitute molecules. This includes the molecular geometry (essentially the arrangement, in space, of the equilibrium positions of… …   Wikipedia

  • Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… …   Wikipedia

  • Molecular physics — is the study of the physical properties of molecules and of the chemical bonds between atoms. Its most important experimental techniques are the various types of spectroscopy. The field is closely related to atomic physics and overlaps greatly… …   Wikipedia

  • Molecular models of DNA — While this purified DNA precipitated in a water jug (left) appears to be a formless mass, nucleic acids actually possess intricate structure at the nanoscale (right). M …   Wikipedia

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