Lecture Notes in Quantum Chemistry PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download Lecture Notes in Quantum Chemistry PDF full book. Access full book title Lecture Notes in Quantum Chemistry by Björn O. Roos. Download full books in PDF and EPUB format.
Author: Björn O. Roos
Publisher: Springer Science & Business Media
ISBN: 3642581501
Category : Science
Languages : en
Pages : 417
Get Book Here
Book Description
"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: Björn O. Roos
Publisher: Springer Science & Business Media
ISBN: 3642581501
Category : Science
Languages : en
Pages : 417
Get Book Here
Book Description
"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
ISBN: 9789810222581
Category : Science
Languages : en
Pages : 258
Get Book Here
Book Description
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:
ISBN: 9781792408175
Category : Science
Languages : en
Pages : 0
Get Book Here
Book Description
Author: Dana S. Chatellier
Publisher:
ISBN: 9780757521461
Category : Science
Languages : en
Pages : 122
Get Book Here
Book Description
Author: Eva Perlt
Publisher: Springer Nature
ISBN: 303067262X
Category : Science
Languages : en
Pages : 260
Get Book Here
Book Description
This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapters introduce local orbitals and orbital localization as well as Slater-type orbitals and review basis sets for special applications, such as those for correlated methods, solid-state calculations, heavy atoms and time-dependent adaptable Gaussian bases for quantum dynamics simulations. This detailed review of the purpose of basis sets, their design, applications, possible problems and available solutions provides graduate students and beginning researchers with information not easily obtained from the available textbooks and offers valuable supporting material for any quantum chemistry or computational chemistry course at the graduate and/or undergraduate level. This book is also useful as a guide for researchers who are new to computational chemistry but are willing to extend their research tools by applying such methods.
Author: Wei-Fang Su
Publisher: Springer Science & Business Media
ISBN: 3642387306
Category : Technology & Engineering
Languages : en
Pages : 314
Get Book Here
Book Description
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: Yasushi Nishihara
Publisher: Springer Science & Business Media
ISBN: 3642323685
Category : Science
Languages : en
Pages : 247
Get Book Here
Book Description
“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: Ferdinand Gerhard Wiechmann
Publisher:
ISBN:
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 320
Get Book Here
Book Description
Author: Björn O. Roos
Publisher: Springer
ISBN:
Category : Computers
Languages : en
Pages : 360
Get Book Here
Book Description
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: Dana S. Chatellier
Publisher:
ISBN: 9781524985646
Category :
Languages : en
Pages :
Get Book Here
Book Description
