Fragmentation accurate calculations complex (17 résultats)

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Etat : New. Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. Num Pages: 360 pages. BIC Classification: PN; PS; TG. Category: (P) Professional & Vocational. Dimension: 244 x 170. . . 2017. 1st Edition. Hardcover. . . . . …

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Gebunden. Etat : New. Mark S. Gordon, Frances M. Craig Distinguished Professor, Iowa State University, Ames, USAProfessor Gordon joined the faculty of the Department of Chemistry at Iowa State University in 1992. His research interests include the development and application of .

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Hardcover. Etat : Brand New. 358 pages. 10.00x7.00x0.75 inches. In Stock.

Etat : New. Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. Num Pages: 360 pages. BIC Classification: PN; PS; TG. Category: (P) Professional & Vocational. Dimension: 244 x 170. . . 2017. 1st Edition. Hardcover. . . . . Books ship from the US and Ireland. …

Buch. Etat : Neu. Neuware - Fragmentation: Toward Accurate Calculations on Complex Molecular Systems introduces the reader to the broad array of fragmentation and embedding methods that are currently available or under development to facilitate accurate calculations on large, complex systems such as proteins, polymers, liquids and nanoparticles. These methods work by subdividing a system into subunits, called fragments or subsystems or domains. Calculations are performed on each fragment and then the results are combined to predict properties for the whole system.Topics covered include:\* Fragmentation methods\* Embedding methods\* Explicitly correlated local electron correlation methods\* Fragment molecular orbital method\* Methods for treating large moleculesThis book is aimed at academic researchers who are interested in computational chemistry, computational biology, computational materials science and related fields, as well as graduate students in these fields.…