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Advances in Quantum Chemistry



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Book Description
Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.

* Publishes articles, invited reviews and proceedings of major international conferences and workshops
* Written by leading international researchers in quantum and theoretical chemistry
* Highlights important interdisciplinary developments



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Advances in Quantum Chemistry, Volume 49
(Advances in Quantum Chemistry)

Product Description:

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics that include an extended and in depth discussion on the calculation of analytical first derivatives of the energy in a similarity transformed equation of motion couples cluster method.

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Advances in Quantum Chemistry, Volume 50: Response Theory and Molecular Properties
(Advances in Quantum Chemistry)

Product Description:

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. This volume continues the tradition with high quality and thorough reviews of various aspects of quantum chemistry. It contains a variety of topics on the use of quantum mechanical methods to calculate molecular properties including response properties. Linear and non-linear response methods have been developed and implemented for most of the approximate wave functions used in quantum chemistry, giving a range of computational methods of varying cost and accuracy. Thus it is presently possible to calculate for example excitation energies, linear and nonlinear optical properties, one- and multi-photon transition rates, and magnetically induced transition moments for a wide range of molecules and target accuracies. These calculations aid in the interpretation of a wide range of spectroscopy including electron spin resonance, nuclear magnetic resonance and magnetic circular dichroism and general laser spectroscopy.

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http://rapidshare.com/files/84879424/0120348500.rar

Advances in Quantum Chemistry, Volume 51
(Advances in Quantum Chemistry)

Product Description:

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.
Advances in Quantum Chemistry, Volume 51 deals with various aspects of mathematical versus chemical applications. Some parts belong to established scientific domains, where technical progress has been crucial for the development of modern quantum chemistry as well as the quantification problem in spectral resonance analysis.
The first chapter in the volume, concerns the calculation of molecular electronic structure to high accuracy, using a variety of one and two-body schemes in the coupled cluster family of methods.
Chapter 2 is devoted to Angular Momentum Diagrams.
In chapters 3 and 4, the autors portray Chemical Graph Theory (CGT).
Advances quantum mechanical signal processing through the fast Padé transform (FPT) are covered in Chapter 5.
The concluding chapter gives a mathematical view of molecular equilibria using a Density-Functional Theory (DFT) description.

* Publishes articles, invited reviews and proceedings of major international conferences and workshops
* Compiled by the leading international researchers in quantum and theoretical chemistry
* Highlights the important, interdisciplinary developments

http://mihd.net/rugyw2

Advances in Quantum Chemistry, Volume 52: Theory of the Interaction of Radiation with Biomolecules
(Advances in Quantum Chemistry)

Product Description:

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.

* publishes articles, invited reviews and proceedings of major international conferences and workshops
* written by leading international researchers in quantum and theoretical chemistry
* highlights important interdisciplinary developments

http://rapidshare.com/files/87677027/0120348527.rar

http://www.filefactory.com/file/afd844