Hybrid Methods of Molecular Modeling

Hybrid Methods of Molecular Modeling is a self-contained advanced review volume. It provides a step by step derivation of the consistent theoretical picture of hybrid modeling methods and a thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory. The b...

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Principais autores: Tchougréeff, Andrei L., SpringerLink (Online service)
Formato: Digital
Publicado em:
Assuntos:
Físico-química.
Materiais.
Nanotecnologia.
Química.
Endereço do item:http://dx.doi.org/10.1007/978-1-4020-8189-7
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spelling oai:localhost:123456789-1299902023-07-17T15:13:55Z Hybrid Methods of Molecular Modeling Tchougréeff, Andrei L. SpringerLink (Online service) Físico-química. Materiais. Nanotecnologia. Química. Hybrid Methods of Molecular Modeling is a self-contained advanced review volume. It provides a step by step derivation of the consistent theoretical picture of hybrid modeling methods and a thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory. The book presents its material sequentially, paying attention both to the physical soundness of the approximations used and to the mathematical rigor necessary for the practical development of the robust modeling code. Historical remarks are given when it is necessary to put the current work in a more general context and to establish a relationship with other areas of computational chemistry. The reader should have experience with the rudimentary concepts of computational chemistry and/or molecular modeling. A basic knowledge of operators, wave functions, and electron densities is required. The book is also intended both for practicing experts in computational materials science, nanoscience, biochemistry, and those who are interested in broadening their knowledge with the current concepts of hybrid modeling and its limitations. 0 2022-10-06T07:55:51Z 2022-10-06T07:55:51Z 2008. Digital 541.1 T252h 9781402081897 198298 http://dx.doi.org/10.1007/978-1-4020-8189-7 http://dx.doi.org/10.1007/978-1-4020-8189-7
institution Acervo SISBI
collection SIGAA
topic Físico-química.
Materiais.
Nanotecnologia.
Química.
spellingShingle Físico-química.
Materiais.
Nanotecnologia.
Química.
Tchougréeff, Andrei L.
SpringerLink (Online service)
Hybrid Methods of Molecular Modeling
description Hybrid Methods of Molecular Modeling is a self-contained advanced review volume. It provides a step by step derivation of the consistent theoretical picture of hybrid modeling methods and a thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory. The book presents its material sequentially, paying attention both to the physical soundness of the approximations used and to the mathematical rigor necessary for the practical development of the robust modeling code. Historical remarks are given when it is necessary to put the current work in a more general context and to establish a relationship with other areas of computational chemistry. The reader should have experience with the rudimentary concepts of computational chemistry and/or molecular modeling. A basic knowledge of operators, wave functions, and electron densities is required. The book is also intended both for practicing experts in computational materials science, nanoscience, biochemistry, and those who are interested in broadening their knowledge with the current concepts of hybrid modeling and its limitations.
format Digital
author Tchougréeff, Andrei L.
SpringerLink (Online service)
author_facet Tchougréeff, Andrei L.
SpringerLink (Online service)
author_sort Tchougréeff, Andrei L.
title Hybrid Methods of Molecular Modeling
title_short Hybrid Methods of Molecular Modeling
title_full Hybrid Methods of Molecular Modeling
title_fullStr Hybrid Methods of Molecular Modeling
title_full_unstemmed Hybrid Methods of Molecular Modeling
title_sort hybrid methods of molecular modeling
publishDate 2022
url http://dx.doi.org/10.1007/978-1-4020-8189-7
work_keys_str_mv AT tchougreeffandreil hybridmethodsofmolecularmodeling
AT springerlinkonlineservice hybridmethodsofmolecularmodeling
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