Skip Nav Destination
SPR Chemical Modelling
Chemical Modelling: Volume 12
Edited by
Michael Springborg;
Michael Springborg
University of Saarland, Germany
Search for other works by this author on:
Jan-Ole Joswig
Jan-Ole Joswig
Dresden University of Technology, Germany
Search for other works by this author on:
Volume
12
Hardback ISBN:
978-1-78262-115-7
PDF ISBN:
978-1-78262-270-3
EPUB ISBN:
978-1-78262-770-8
Special Collection:
2015 ebook collection
No. of Pages:
350
Publication date:
18 Nov 2015
About this book
Chemical Modelling covers a wide range of disciplines and this Specialist Periodical Report is the first stop for any materials scientist, biochemist, chemist or molecular physicist wishing to acquaint themselves with major developments and current opinion in the applications and theory of chemical modelling. The topics covered are wide ranging with authors writing on clusters to modelling nanotubes and dynamics. Containing both comprehensive and critical reviews, this volume is an essential resource and convenient reference for any research group active in the field or chemical sciences library.
Chemical Modelling: Volume 12, The Royal Society of Chemistry, 2015.
Download citation file:
Digital access
$441.00
Print format
Chemical Modelling
$441.00
Table of contents
-
PrefaceByJan-Ole JoswigJan-Ole JoswigSearch for other works by this author on:
-
Toward accurate coarse-graining approaches for protein and membrane simulationsp1-52ByMichele Cascella;Michele CascellaDepartment of Chemistry, and Centre for Theoretical and Computational Chemistry (CTCC), University of OsloSem Sæig;lands vei 26, 0371OsloNorway[email protected]Search for other works by this author on:Stefano VanniStefano VanniInstitut de Pharmacologie Moléculaire et Cellulaire, Universiteé Nice Sophia Antipolis and CNRS06560 ValbonneFrance[email protected]Search for other works by this author on:
-
Chemical bonding in solids: recovering chemical concepts in the realm of infinite periodic structuresp53-83ByAlexey I. Baranov;Alexey I. BaranovMax Planck Institute for Chemical Physics of SolidsNöthnitzer Strasse 4001187 DresdenGermanyTU Dresden, Department of Chemistry and Food Chemistry, Inorganic Chemistry IIBergstrasse 6601062 DresdenGermany[email protected]Search for other works by this author on:Robert Ponec;Robert PonecInstitute of Chemical Process Fundamentals, Czech Academy of SciencesRozvojová 135165 02 Prague 6Czech RepublicSearch for other works by this author on:Miroslav KohoutMiroslav KohoutMax Planck Institute for Chemical Physics of SolidsNöthnitzer Strasse 4001187 DresdenGermanySearch for other works by this author on:
-
Vibrational quantum dynamics at metallic surfacesp84-118ByJean Christophe TremblayJean Christophe TremblayInstitute for Chemistry and Biochemistry, Freie Universität BerlinTakustraßig;e 314195 BerlinGermany[email protected]Search for other works by this author on:
-
Theoretical studies of supercapacitorsp119-150ByMathieu SalanneMathieu SalanneMaison de la Simulation, USR 3441, CEA – CNRS – INRIA – Université Paris-Sud – Université de VersaillesF-91191 Gif-sur-YvetteFranceSearch for other works by this author on:
-
Nanotubes with well-defined structure: imogolitesp151-183ByLuciana Guimarães;Luciana GuimarãesDepartament of Natural Science, Universidade Federal de São João del ReiSão João del ReiMinas GeraisBrazil[email protected]Search for other works by this author on:Maicon P. Lourenço;Maicon P. LourençoDepartament of Chemistry, Instituto de Ciências Exatas, Universidade Federal de Minas GeraisBelo HorizonteMinas GeraisBrazilSearch for other works by this author on:Hélio A. DuarteHélio A. DuarteDepartament of Chemistry, Instituto de Ciências Exatas, Universidade Federal de Minas GeraisBelo HorizonteMinas GeraisBrazilSearch for other works by this author on:
-
Application of DFT modeling in Fischer–Tropsch synthesis over Co-based catalystsp184-218ByXin-Chao Xu;Xin-Chao XuState Key Laboratory of Chemical Engineering, East China University of Science and TechnologyShanghaiChina[email protected][email protected]Search for other works by this author on:Pengfei Tian;Pengfei TianState Key Laboratory of Chemical Engineering, East China University of Science and TechnologyShanghaiChina[email protected][email protected]Search for other works by this author on:Yong Cao;Yong CaoDepartment of Chemistry, Fudan UniversityShanghaiChinaSearch for other works by this author on:Jing Xu;Jing XuState Key Laboratory of Chemical Engineering, East China University of Science and TechnologyShanghaiChina[email protected][email protected]Search for other works by this author on:Yi-Fan HanYi-Fan HanState Key Laboratory of Chemical Engineering, East China University of Science and TechnologyShanghaiChina[email protected][email protected]Search for other works by this author on:
-
Structure prediction and its applications in computational materials designp219-248ByArtem R. Oganov;Artem R. OganovMoscow Institute of Physics and TechnologyDolgoprudny cityMoscowRussiaInternational Center for Materials Discovery, School of Materials Sciences and Engineering, Northwestern Polytechnical UniverisityXi'anChinaSearch for other works by this author on:Qingfeng Zeng;Qingfeng ZengInternational Center for Materials Discovery, School of Materials Sciences and Engineering, Northwestern Polytechnical UniverisityXi'anChinaSearch for other works by this author on:Xiangfeng ZhouXiangfeng ZhouSchool of Physics, Nankai UniveristyTianjinChinaSearch for other works by this author on:
-
Ab initio global optimization of clustersp249-292ByJijun Zhao;Jijun ZhaoKey Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of TechnologyDalian 116024China[email protected]Search for other works by this author on:Xiaoming Huang;Xiaoming HuangKey Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of TechnologyDalian 116024China[email protected]Search for other works by this author on:Ruili Shi;Ruili ShiKey Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of TechnologyDalian 116024China[email protected]Search for other works by this author on:Lingli Tang;Lingli TangCollege of Science, Dalian Nationalities UniversityDalian 116000ChinaSearch for other works by this author on:Yan Su;Yan SuKey Laboratory of Materials Modification by Laser, Ion and Electron Beams, Dalian University of TechnologyDalian 116024China[email protected]Search for other works by this author on:Linwei SaiLinwei SaiDepartment of Mathematics and Physics, Hohai UniversityChangzhou 213022ChinaSearch for other works by this author on:
-
Nitrogen- and phosphine-binding ligands in interaction with gold atoms, clusters, nanoparticles and surfacesp293-350ByDoreen MollenhauerDoreen MollenhauerJustus-Liebig-Universität Gießig;en, Physikalisch-Chemisches InstitutHeinrich-Buff-Ring 58GiessenGermany[email protected]Search for other works by this author on:
Spotlight
Advertisement
Advertisement
