Computational chemistry, Vol. 9: reviews of current trends
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Singapore
World Scientific
©2005
|
| Schlagworte: | |
| Online-Zugang: | FAW01 FAW02 Volltext |
| Beschreibung: | Includes bibliographical references and indexes Molecular electronics with gaussian98/03 -- Molecular dynamics simulations of single molecule 47 atomic force microscope experiments -- Molecular dynamics simulations of a molecular 85 electronics device: The nanoCell -- Computation of excited state potential energy surfaces 121 via linear response theories based on state specific multi-reference coupled electron-pair approximation like methods -- Modelling of Anisotropic exchange coupling in 153 rare-earth-transition-metal pairs: applications to Yb3+-Mn2+ and Yb3+-Cr3+ halide clusters and implications to the light up-conversion -- Is a Dihydrogen bond a unique phenomenon? Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs and chemicals. The reviews presented in this volume discuss the current advances in computational methodologies and their applications. The areas covered include materials science, nanotechnology, inorganic and biological systems. The major thrust of the book is to bring timely overviews of new findings and methods appl |
| Beschreibung: | 1 Online-Ressource (1 volume) |
| ISBN: | 1281897043 9781281897046 9789812701305 9812701303 |
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| indexdate | 2024-07-10T07:17:56Z |
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| isbn | 1281897043 9781281897046 9789812701305 9812701303 |
| language | English |
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| spelling | Computational chemistry, Vol. 9 reviews of current trends editor, Jerzy Leszczynski Singapore World Scientific ©2005 1 Online-Ressource (1 volume) txt rdacontent c rdamedia cr rdacarrier Includes bibliographical references and indexes Molecular electronics with gaussian98/03 -- Molecular dynamics simulations of single molecule 47 atomic force microscope experiments -- Molecular dynamics simulations of a molecular 85 electronics device: The nanoCell -- Computation of excited state potential energy surfaces 121 via linear response theories based on state specific multi-reference coupled electron-pair approximation like methods -- Modelling of Anisotropic exchange coupling in 153 rare-earth-transition-metal pairs: applications to Yb3+-Mn2+ and Yb3+-Cr3+ halide clusters and implications to the light up-conversion -- Is a Dihydrogen bond a unique phenomenon? Vast progress in the area of computational chemistry has been achieved in the last decade. Theoretical methods such as quantum mechanics, molecular dynamics and statistical mechanics have been successfully used to characterize chemical systems and to design new materials, drugs and chemicals. The reviews presented in this volume discuss the current advances in computational methodologies and their applications. The areas covered include materials science, nanotechnology, inorganic and biological systems. The major thrust of the book is to bring timely overviews of new findings and methods appl Chemistry SCIENCE / Chemistry / General bisacsh Chemistry / Mathematics fast Computacao aplicada a quimica larpcal Chemie Mathematik Chemistry Mathematics Leszczynski, Jerzy Sonstige oth http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=167301 Aggregator Volltext |
| spellingShingle | Computational chemistry, Vol. 9 reviews of current trends Chemistry SCIENCE / Chemistry / General bisacsh Chemistry / Mathematics fast Computacao aplicada a quimica larpcal Chemie Mathematik Chemistry Mathematics |
| title | Computational chemistry, Vol. 9 reviews of current trends |
| title_auth | Computational chemistry, Vol. 9 reviews of current trends |
| title_exact_search | Computational chemistry, Vol. 9 reviews of current trends |
| title_full | Computational chemistry, Vol. 9 reviews of current trends editor, Jerzy Leszczynski |
| title_fullStr | Computational chemistry, Vol. 9 reviews of current trends editor, Jerzy Leszczynski |
| title_full_unstemmed | Computational chemistry, Vol. 9 reviews of current trends editor, Jerzy Leszczynski |
| title_short | Computational chemistry, Vol. 9 |
| title_sort | computational chemistry vol 9 reviews of current trends |
| title_sub | reviews of current trends |
| topic | Chemistry SCIENCE / Chemistry / General bisacsh Chemistry / Mathematics fast Computacao aplicada a quimica larpcal Chemie Mathematik Chemistry Mathematics |
| topic_facet | Chemistry SCIENCE / Chemistry / General Chemistry / Mathematics Computacao aplicada a quimica Chemie Mathematik Chemistry Mathematics |
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