Verfügbarkeit: Computational chemistry.

Computational chemistry.: reviews of current trends / Vol. 9 :

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 re...

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Bibliographische Detailangaben
Weitere Verfasser:	Leszczynski, Jerzy, 1949-
Format:	Elektronisch E-Book
Sprache:	English
Veröffentlicht:	Singapore ; Hackensack, NJ : World Scientific, ©2005.
Schlagworte:	Chemistry > Mathematics. SCIENCE > Chemistry > General. Chemistry > Mathematics Chemistry. Physical Sciences & Mathematics. Chemistry - General. Computacao aplicada a quimica.
Online-Zugang:	Volltext
Zusammenfassung:	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 resource (1 volume) : illustrations
Bibliographie:	Includes bibliographical references and indexes.
ISBN:	9812701303 9789812701305 1281897043 9781281897046 9812560971 9789812560971 9786611897048 6611897046

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spelling	Computational chemistry. Vol. 9 : reviews of current trends / editor, Jerzy Leszczynski. Singapore ; Hackensack, NJ : World Scientific, ©2005. 1 online resource (1 volume) : illustrations text txt rdacontent computer c rdamedia online resource 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? Print version record. 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. English. Chemistry Mathematics. http://id.loc.gov/authorities/subjects/sh2005000963 SCIENCE Chemistry General. bisacsh Chemistry Mathematics fast Chemistry. hilcc Physical Sciences & Mathematics. hilcc Chemistry - General. hilcc Computacao aplicada a quimica. larpcal Leszczynski, Jerzy, 1949- https://id.oclc.org/worldcat/entity/E39PCjHkVPdpx8jdpTmDbgkcmq http://id.loc.gov/authorities/names/n95108065 Print version: Computational chemistry. Vol. 9. Singapore ; Hackensack, NJ : World Scientific, ©2005 9812560971 (DLC) 95049000 (OCoLC)33667047 FWS01 ZDB-4-EBA FWS_PDA_EBA https://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=167301 Volltext
spellingShingle	Computational chemistry. reviews of current trends / 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? Chemistry Mathematics. http://id.loc.gov/authorities/subjects/sh2005000963 SCIENCE Chemistry General. bisacsh Chemistry Mathematics fast Chemistry. hilcc Physical Sciences & Mathematics. hilcc Chemistry - General. hilcc Computacao aplicada a quimica. larpcal
subject_GND	http://id.loc.gov/authorities/subjects/sh2005000963
title	Computational chemistry. reviews of current trends /
title_auth	Computational chemistry. reviews of current trends /
title_exact_search	Computational chemistry. 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.
title_sort	computational chemistry reviews of current trends
title_sub	reviews of current trends /
topic	Chemistry Mathematics. http://id.loc.gov/authorities/subjects/sh2005000963 SCIENCE Chemistry General. bisacsh Chemistry Mathematics fast Chemistry. hilcc Physical Sciences & Mathematics. hilcc Chemistry - General. hilcc Computacao aplicada a quimica. larpcal
topic_facet	Chemistry Mathematics. SCIENCE Chemistry General. Chemistry Mathematics Chemistry. Physical Sciences & Mathematics. Chemistry - General. Computacao aplicada a quimica.
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