Lecture Notes In Chemistry 1
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Author | : Björn O. Roos |
Publisher | : Springer Science & Business Media |
Total Pages | : 417 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 3642581501 |
"Quantum Chemistry" is the course material of a European Summer School in Quantum Chemistry, organized by Bj|rn O. Roos. It consists of lectures by outstanding scientists who participate in the education of students and young scientists. The book has a wider appeal as additional reading for University courses. Contents: P.-A. Malmquist: Mathematical Tools in Quantum Chemistry J. Olsen: The Method of Second Quantization P.R. Taylor: Molecular Symmetry and Quantum Chemistry B.O. Roos: The Multiconfigurational (MC) Self-Consistent Field (SCF) Theory P.E.M. Siegbahn: The Configuration Interaction Method T. Helgaker: Optimization of Minima and Saddle Points P.R. Taylor: Accurate Calculations and Calibration U. Wahlgren: Effective Core Potential Method
Author | : Viktor Gutmann |
Publisher | : World Scientific |
Total Pages | : 258 |
Release | : 1995 |
Genre | : Science |
ISBN | : 9789810222581 |
This book emphasises those features in solution chemistry which are difficult to measure, but essential for the understanding of both the qualitative and the quantitative aspects. Attention is paid to the mutual influences between solute and solvent, even at extremely small concentrations of the former. The described extension of the molecular concept leads to a broad view ? not by a change in paradigm ? but by finding the rules for the organizations both at the molecular and the supermolecular level of liquid and solid solutions.
Author | : Dana S. Chatellier |
Publisher | : |
Total Pages | : 0 |
Release | : 2021-07-30 |
Genre | : Science |
ISBN | : 9781792408175 |
Author | : Dana S. Chatellier |
Publisher | : |
Total Pages | : 122 |
Release | : 2005-08-16 |
Genre | : Science |
ISBN | : 9780757521461 |
Author | : Wei-Fang Su |
Publisher | : Springer Science & Business Media |
Total Pages | : 314 |
Release | : 2013-10-09 |
Genre | : Technology & Engineering |
ISBN | : 3642387306 |
How can a scientist or engineer synthesize and utilize polymers to solve our daily problems? This introductory text, aimed at the advanced undergraduate or graduate student, provides future scientists and engineers with the fundamental knowledge of polymer design and synthesis to achieve specific properties required in everyday applications. In the first five chapters, this book discusses the properties and characterization of polymers, since designing a polymer initially requires us to understand the effects of chemical structure on physical and chemical characteristics. Six further chapters discuss the principles of polymerization reactions including step, radical chain, ionic chain, chain copolymerization, coordination and ring opening. Finally, material is also included on how commonly known polymers are synthesized in a laboratory and a factory. This book is suitable for a one semester course in polymer chemistry and does not demand prior knowledge of polymer science.
Author | : Sir Edward Frankland |
Publisher | : |
Total Pages | : 468 |
Release | : 1866 |
Genre | : Chemistry |
ISBN | : |
Author | : Yasushi Nishihara |
Publisher | : Springer Science & Business Media |
Total Pages | : 247 |
Release | : 2012-12-14 |
Genre | : Science |
ISBN | : 3642323685 |
“Applied Cross-Coupling Reactions” provides students and teachers of advanced organic chemistry with an overview of the history, mechanisms and applications of cross-coupling reactions. Since the discovery of the transition-metal-catalyzed cross-coupling reactions in 1972, numerous synthetic uses and industrial applications have been developed. The mechanistic studies of the cross-coupling reactions have disclosed that three fundamental reactions: oxidative addition, transmetalation, and reductive elimination, are involved in a catalytic cycle. Cross-coupling reactions have allowed us to produce a variety of compounds for industrial purposes, such as natural products, pharmaceuticals, liquid crystals and conjugate polymers for use in electronic devices. Indeed, the Nobel Prize for Chemistry in 2010 was awarded for work on cross-coupling reactions. In this book, the recent trends in cross-coupling reactions are also introduced from the point of view of synthesis design and catalytic activities of transition-metal catalysts.
Author | : Björn O. Roos |
Publisher | : Springer |
Total Pages | : 360 |
Release | : 1994-11-25 |
Genre | : Computers |
ISBN | : |
The second volume of Lecture Notes in Quantum Chemistry includes lectures in Hartree-Fock theory, density functional theory, coupled-cluster methods, and relativistic quantum chemistry. It also contains a problem section with solutions covering the subjects of both volumes. The two volumes constitute part of the course material of the European Summer Schools in Quantum Chemistry, organized in Sweden, every second year. The lecture notes have been written by outstanding scientists and teachers who participate in the education of students and young scientists. Taken together, the two volumes become an excellent teaching material for University courses in Theoretical Chemistry.
Author | : Hong Qian |
Publisher | : Springer Nature |
Total Pages | : 364 |
Release | : 2021-10-18 |
Genre | : Mathematics |
ISBN | : 3030862526 |
This book provides an introduction to the analysis of stochastic dynamic models in biology and medicine. The main aim is to offer a coherent set of probabilistic techniques and mathematical tools which can be used for the simulation and analysis of various biological phenomena. These tools are illustrated on a number of examples. For each example, the biological background is described, and mathematical models are developed following a unified set of principles. These models are then analyzed and, finally, the biological implications of the mathematical results are interpreted. The biological topics covered include gene expression, biochemistry, cellular regulation, and cancer biology. The book will be accessible to graduate students who have a strong background in differential equations, the theory of nonlinear dynamical systems, Markovian stochastic processes, and both discrete and continuous state spaces, and who are familiar with the basic concepts of probability theory.
Author | : Björn O. Roos |
Publisher | : Springer Science & Business Media |
Total Pages | : 342 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 364257890X |
The first volume of Lecture Notes in Quantum Chemistry (Lecture Notes in Chemistry 58, Springer Verlag, Berlin 1992) contained a compilation of selected lectures given at the two first European Summer Schools in Quantum Chemistry (ESQC), held in southern Sweden in August 1989 and 1991, respectively. The notes were written by the teachers at the school and covered a large range of topics in ab initio quantum chemistry. After the third summer school (held in 1993) it was decided to put together a second volume with additional material. Important lecture material was excluded in the first volume and has now been added. Such added topics are: integrals and integral derivatives, SCF theory, coupled-cluster theory, relativity in quantum chemistry, and density functional theory. One chapter in the present volume contains the exercise material used at the summer school and in addition solutions to all the exercises. It is the hope of the authors that the two volumes will find good use in the scientific community as textbooks for students, who are interested in learn ing more about modern methodology in molecular quantum chemistry. The books will be used as teaching material in the European Summer Schools in Quantum Chemistry, which are presently planned. Lund in July 1994 Bjorn Roos NOTES ON HARTREE-FOCK THEORY AND RELATED TOPICS JanAlmlof Department of Chemistry University of Minnesota Minneapolis, MN 55455. USA Contents: 1 • Introduction. 2 . The Born-Oppenheimer Approximation. 3. Determinant Wavefunctions and the Pauli Principle. 4. Expectation Values With a Determinant Wavefunction.