Chemical Modelling: Vol. 2: Applications and Theory (Specialist Periodical Reports)

Chemical Modelling: Vol. 2: Applications and Theory (Specialist Periodical Reports)
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Jin, P. Quiney H. Journal of Molecular Evolution , 86 2 , Natural population analysis NPA Reed et al. Springer, Berlin, Heidelberg P and N.

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Royal Society of Chemistry

Preliminary content Front cover A. Log in to access for FREE. Front matter A. Preface A. Contents A. Electric multipoles, polarizabilities and hyperpolarizabilities A. Hinchliffe and David Pugh. Atomic structure computations A. Hinchliffe and T. Buy chapter.

Basic Elements of Relativistic Atomic and Molecular Quantum Mechanics | SpringerLink

Atoms in molecules A. Hinchliffe, P. Popelier, F. Aicken and S.

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Modelling biological systems A. Hinchliffe, Richard I. Maurer and Christopher A. Relativistic pseudopotential calculations, —June A.

Density-functional theory A. With more than 12, 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. 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. 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.

Basic Elements of Relativistic Atomic and Molecular Quantum Mechanics

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.

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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.