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SPR Chemical Modelling
Chemical Modelling: Applications and Theory
By
Barbara Kirchner;
Barbara Kirchner
Leipzig University, Germany
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George Maroulis;
George Maroulis
University of Patras, Greece
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Raja Paul;
Raja Paul
Indian Association for the Cultivation of Science, India
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Pranab Sarkar;
Pranab Sarkar
Visva-Bharati University, India
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Guozhong Wu
Guozhong Wu
Chinese Academy of Sciences, China
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Edited by
Michael Springborg
Michael Springborg
University of Saarland, Germany
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Volume
9
Hardback ISBN:
978-1-84973-412-7
PDF ISBN:
978-1-84973-479-0
No. of Pages:
217
Publication date:
31 Oct 2012
About this book
Chemical Modelling: Applications and Theory comprises critical literature reviews of all aspects of molecular modelling. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules and materials. Each chapter provides a selective review of recent literature, incorporating sufficient historical perspective for the non-specialist to gain an understanding. With chemical modelling covering such a wide range of subjects, this Specialist Periodical Report serves as the first port of call to any chemist, biochemist, materials scientist or molecular physicist needing to acquaint themselves with major developments in the area.
Chemical Modelling: Applications and Theory
By: Barbara Kirchner, George Maroulis, Raja Paul, Sudip Roy, Pranab Sarkar, Andreas Savin, Guozhong Wu
Edited by: Michael Springborg
ISBN (print): 978-1-84973-412-7
Publisher: The Royal Society of Chemistry
Published: 2012
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Digital access
$420.00
Print format
Chemical Modelling
$420.00
Table of contents
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Uncovering molecular secrets of ionic liquidsp1-24ByStefan Zahn;Stefan ZahnWilhelm Ostwald Institut für Physikalische und Theoretische ChemieUniversität Leipzig, Linnéstr. 2, 04103 LeipzigGermanystefan.zahn@uni-leipzig.de; homepage: www.stefan-zahn.comSearch for other works by this author on:Barbara KirchnerBarbara KirchnerWilhelm Ostwald Institut für Physikalische und Theoretische ChemieUniversität Leipzig, Linnéstr. 2, 04103 LeipzigGermanybkirchner@uni-leipzig.de; homepage: www.uni-leipzig.de/∼quant/Search for other works by this author on:
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Interaction-induced electric propertiesp25-60ByGeorge MaroulisGeorge MaroulisSearch for other works by this author on:
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Modeling biological cellsp61-91ByRaja PaulRaja PaulDepartment of Solid State PhysicsIndian Association for the Cultivation of ScienceJadavpur, Kolkata - 700032Indiassprp@iacs.res.in+91-33-2473 4971+91-33-24734971Search for other works by this author on:
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Particle based multiscale simulation methods and applicationsp92-134BySudip RoySudip RoySearch for other works by this author on:
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Size-dependent electronic structure of semiconductor nanoparticlesp135-167BySougata Pal;Sougata PalDepartment of ChemistryGourbanga UniversityMaldaINDIA732103Search for other works by this author on:Sunandan Sarkar;Sunandan SarkarDepartment of ChemistryVisva-Bharati UniversitySantiniketanINDIA731235pranab.sarkar@visva-bharati.ac.inSearch for other works by this author on:Supriya Saha;Supriya SahaDepartment of ChemistryVisva-Bharati UniversitySantiniketanINDIA731235pranab.sarkar@visva-bharati.ac.inSearch for other works by this author on:Pranab SarkarPranab SarkarDepartment of ChemistryVisva-Bharati UniversitySantiniketanINDIA731235pranab.sarkar@visva-bharati.ac.inSearch for other works by this author on:
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On choosing the best density functional approximationp168-185ByBartolomeo Civalleri;Bartolomeo CivalleriDepartment of Chemistry and NIS Centre of ExcellenceVia P. Giuria 7, 10129 University of Torino, TorinoItalySearch for other works by this author on:Davide Presti;Davide PrestiDepartment of Chemistry and NIS Centre of ExcellenceVia P. Giuria 7, 10129 University of Torino, TorinoItalySearch for other works by this author on:Roberto Dovesi;Roberto DovesiDepartment of Chemistry and NIS Centre of ExcellenceVia P. Giuria 7, 10129 University of Torino, TorinoItalySearch for other works by this author on:Andreas SavinAndreas SavinLaboratoire de Chimie ThéoriqueCNRS and UPMC Sorbonne University, 4 place Jussieu, 75252 ParisFranceandreas.savin@lct.jussieu.frSearch for other works by this author on:
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Molecular dynamics simulation of ionic liquids adsorbed onto a solid surface and confined in nanospacep186-217ByMaolin Sha;Maolin ShaShanghai Institute of Applied PhysicsChinese Academy of SciencesShanghai, 201800Chinawuguozhong@sinap.ac.cnSearch for other works by this author on:Qiang Dou;Qiang DouShanghai Institute of Applied PhysicsChinese Academy of SciencesShanghai, 201800Chinawuguozhong@sinap.ac.cnSearch for other works by this author on:Guozhong WuGuozhong WuShanghai Institute of Applied PhysicsChinese Academy of SciencesShanghai, 201800Chinawuguozhong@sinap.ac.cnSearch for other works by this author on:
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