Chemical Modelling: Applications and Theory Volume 6: Spr Chemical Modelling (Rsc), cartea 6
Autor Royal Society of Chemistry Editat de Alan Hinchliffe, Michael Springborgen Limba Engleză Hardback – 31 aug 2009
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, 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. Volume 6 examines the literature published between June 2007 and May 2008
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Specificații
ISBN-13: 9781847558817
ISBN-10: 184755881X
Pagini: 574
Dimensiuni: 156 x 234 x 32 mm
Greutate: 0.98 kg
Ediția:Edition.
Editura: Royal Society Of Chemistry
Seriile Specialist Periodical Reports, Spr Chemical Modelling (Rsc)
ISBN-10: 184755881X
Pagini: 574
Dimensiuni: 156 x 234 x 32 mm
Greutate: 0.98 kg
Ediția:Edition.
Editura: Royal Society Of Chemistry
Seriile Specialist Periodical Reports, Spr Chemical Modelling (Rsc)
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Cuprins
Front matter; Contents; Editorial announcement; Preface; Polarizabilities and hyperpolarizabilitiesIn memoriam of David M. Bishop.; Spin-polarized reactivity indices from density functional theory: theory and applications; QSAR–old and new directions; Excitations; Wavefunction-based ab initio correlation method for metals: application of the incremental scheme to Be, Mg, Zn, Cd, and Hg; A new methodology for the development of numerical methods for the numerical solution of the Schrödinger equation; Nanostructures;
Notă biografică
Prof. Dr. Michael Springborg heads up of the three groups in Physical Chemistry at the University of Saarland where the main activities concentrate on teaching and research. The major part of Prof. Dr. Michael Springborg's research concentrates on the development and application of theoretical methods, including accompanying computer programs, for the determination of materials properties. Quantum theory forms the theoretical foundation for most of our work. The materials of the group's interest range from atoms, via clusters and polymers, to solids. They study their structural, electronic, energetic, and opitcal properties.
Descriere
Reflecting the growing volume of published work in this field, researchers will find this book an invaluable source of information on current methods and applications.
Textul de pe ultima copertă
With more than 12,000 articles being published each year in the field of Chemical Modelling it can be difficult to keep abreast of current thinking and developments. The Specialist Periodical Report, Chemical Modelling: Applications and Theory comprises critical and comprehensive literature reviews of all aspects of molecular modelling and covers approximately the last 12 months of published primary literature. An essential resource for any chemical modeller, each volume contains chapters providing a selective review of recent literature, incorporating sufficient historical perspective for students and those new to the field to gain full understanding. Chemical Modelling is now indexed in Scopus.