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SPR Chemical Modelling
Chemical Modelling
By
Brian T Sutcliffe;
Brian T Sutcliffe
Universite Libre de Bruxelles, Belgium
Search for other works by this author on:
A H Pakiari
A H Pakiari
Shiraz University, Iran
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Edited by
Volume
5
Hardback ISBN:
978-0-85404-248-7
PDF ISBN:
978-1-84755-889-3
Special Collection:
2008 ebook collection
No. of Pages:
400
Publication date:
19 Nov 2008
About this book
Chemical Modelling: Applications and Theory comprises critical literature reviews of molecular modelling, both theoretical and applied. Molecular modelling in this context refers to modelling the structure, properties and reactions of atoms, molecules & materials. Each chapter is compiled by experts in their fields and provides a selective review of recent literature. 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 of major developments in the area. Volume 5 covers literature published from June 2005 to May 2007.
E. A. Moore, B. T. Sutcliffe, and A. H. Pakiari, Chemical Modelling, 2008.
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Digital access
$392.00
Print format
Chemical Modelling
$392.00
Table of contents
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Coverp1-2
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Contentsp9-12
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Multiscale modelling of biological systemsp13-50ByChristopher J. Woods;Christopher J. WoodsCentre for Computational Chemistry, School of Chemistry, University of BristolBristolUKBS8 1TSSearch for other works by this author on:Adrian J. MulhollandAdrian J. MulhollandCentre for Computational Chemistry, School of Chemistry, University of BristolBristolUKBS8 1TSSearch for other works by this author on:
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Computer-aided drug design 2005–2007p51-66ByRichard A. LewisRichard A. LewisComputer-aided Drug Discovery, Novartis Institutes for Biomedical ResearchBaselCH-4002Switzerland[email protected]Search for other works by this author on:
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Solvation effectsp67-118ByMichael SpringborgMichael SpringborgPhysical and Theoretical Chemistry, University of SaarlandD–66123SaarbrückenGermany[email protected]Search for other works by this author on:
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The solid statep119-149ByE. A. MooreE. A. MooreDepartment of Chemistry and Analytical SciencesThe Open UniversitySearch for other works by this author on:
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Density functional theory studies of alloys in heterogeneous catalysis1p150-181ByJohn R. Kitchin;John R. KitchinDepartment of Chemical Engineering, Carnegie Mellon UniversityPittsburghPA 15213USA[email protected]+1 412 268 7139+1 412 268 7803National Energy Technology LaboratoryPittsburghPA 15236USASearch for other works by this author on:Spencer D. Miller;Spencer D. MillerDepartment of Chemical Engineering, Carnegie Mellon UniversityPittsburghPA 15213USA[email protected]+1 412 268 7139+1 412 268 7803Search for other works by this author on:David S. ShollDavid S. ShollDepartment of Chemical Engineering, Carnegie Mellon UniversityPittsburghPA 15213USA[email protected]+1 412 268 7139+1 412 268 7803National Energy Technology LaboratoryPittsburghPA 15236USASearch for other works by this author on:
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Fluctuation relations, free energy calculations and irreversibilityp182-207ByDebra J. Searles;Debra J. SearlesNanoscale Science and Technology Centre and School of Biomolecular and Physical Sciences, Griffith UniversityBrisbaneQld 4111AustraliaSearch for other works by this author on:Denis J. EvansDenis J. EvansResearch School of Chemistry, Australian National UniversityCanberraACT 0200AustraliaSearch for other works by this author on:
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Many-body perturbation theory and its application to the molecular structure problemp208-248ByS. WilsonS. WilsonPhysical & Theoretical Chemistry Laboratory, University of OxfordSouth Parks RoadOxfordOX1 3QZDepartment of Chemical Physics, Faculty of Mathematics, Physics and Informatics, Comenius University84215BratislavaSlovakia[email protected]Search for other works by this author on:
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Experiment and theory in the determination of molecular hyperpolarizabilities in solution; pNA and MNA in dioxanep249-278ByDavid PughDavid PughDepartment of Pure and Applied Chemistry, University of StrathclydeThomas Graham Building295 Cathedral StreetGlasgowUKG1 1XLSearch for other works by this author on:
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The floating spherical Gaussian orbital (FSGO) method1p279-311ByA. H. PakiariA. H. PakiariChemistry Department, College of Sciences, Shiraz UniversityShiraz71454Iran[email protected]; [email protected]Search for other works by this author on:
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Advances in valence bond theoryp312-349ByPeter B. KaradakovPeter B. KaradakovDepartment of Chemistry, University of YorkHeslingtonYorkUK YO10 5DDSearch for other works by this author on:
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Numerical methods in chemistryp350-487ByT. E. SimosT. E. SimosDepartment of Computer Science and Technology, School of Sciences and Technology, University of PeloponneseGR-22100 TripolisGreeceSearch for other works by this author on:
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