Computational chemistry theories methods (8 Ergebnisse)

perfect. Zustand: Brand New. 507 pages. 6.69x2.00x9.45 inches. In Stock.

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Taschenbuch. Zustand: Neu. Neuware - The mathematical structure of gauge theory is a union of many modern algebraic concepts. The book provides the background to understand gauge theory and use it in computational chemistry. It introduces two powerful methods used in modern computational chemistry: The Diffusion Monte Carlo algorithm and Ring Polymer Molecular Dynamics. Gauge theory is used to derive a convergent version of the ground state probability amplitude approach for the simulation of excited states. Contains some recent advances in theoretical and computational chemistry. Clear, coherently written explanation of the various background mathematical concepts. Accessible to undergraduate students with many exercises for readers to achieve mastery of the subjects. …

Zustand: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide.

Taschenbuch. Zustand: Neu. Theoretical and Computational Chemistry | Gauge Theories for Chemical Physics and Excited State Methods | Emanuele Curotto | Taschenbuch | De Gruyter Textbook | XVIII | Englisch | 2026 | Walter de Gruyter | EAN 9783111610085 | Verantwortliche Person für die EU: Walter de Gruyter GmbH, De Gruyter GmbH, Genthiner Str. 13, 10785 Berlin, productsafety[at]degruyterbrill[dot]com | Anbieter: preigu.…

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Zustand: New. Editor(s): Bove, Daria. Num Pages: 139 pages. BIC Classification: PN. Category: (P) Professional & Vocational. Dimension: 234 x 158 x 18. Weight in Grams: 436. . 2014. Hardcover. . . . . Books ship from the US and Ireland.

Buch. Zustand: Neu. Neuware - The development of new drugs always was time consuming and costly. With the development in experimental methods, it was possible to scan small-compound libraries in order to find potentially suitable molecules. Protein kinases are a class of enzymes involved in the great majority of cellular processes. This book begins with a discussion on the protein kinase targeting drug discovery and design. It continues with topics on computational chemistry investigation of UV filters; using the network simulation method to study ionic transport processes in electrochemical cells; molecular simulation of electron beam nanofabrication; interpreting of chiral ordering of hybrid system of several AZO dyes; a general procedure for a priori calculation of thermochemical properties of organic molecules and free radicals; strategies for design of new organic molecular rectifiers; and DFT studies.…