Computational and Theoretical Chemistry

PUBLISHED


Viewing: 1 - 10 of 56
Published:
April 12, 2013
Author(s):
Hiroki Nakamura; Gennady Mil'nikov
Quantum mechanical tunneling plays important roles in a wide range of natural sciences, from nuclear and solid-state physics to proton transfer and chemical reactions in chemistry and biology. Responding to the need for further understanding of multidimensional tunneling, the authors have recently 
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Published:
March 22, 2013
Author(s):
J. R. Solana
This book, Perturbation Theories for the Thermodynamic Properties of Fluids and Solids, provides a comprehensive review of current perturbation theories—as well as integral equation theories and density functional theories—for the equilibrium thermodynamic and structural properties of classical 
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Published:
February 26, 2013
Editor(s):
Swapan Kumar Ghosh; Pratim Kumar Chattaraj
Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, the first book in a two-volume set, focuses on the structure and reactivity of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts 
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Published:
February 26, 2013
Editor(s):
Swapan Kumar Ghosh; Pratim Kumar Chattaraj
Concepts and Methods in Modern Theoretical Chemistry: Statistical Mechanics, the second book in a two-volume set, focuses on the dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables 
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$119.95
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Published:
February 26, 2013
Editor(s):
Swapan Kumar Ghosh; Pratim Kumar Chattaraj
Concepts and Methods in Modern Theoretical Chemistry, Two-Volume Set focuses on the structure and dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, the two books offer chapters written by experts in their fields. They enable readers to learn how 
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$199.95
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Published:
December 05, 2012
Author(s):
Ioan Merches; Dorian Tatomir; Roxana E. Lupu
Quantum electrodynamics (QED) is the branch of relativistic quantum field theory that deals specifically with the interactions between charged particles. It is widely used to solve problems in many areas of physics, such as elementary particles, atomic and molecular systems, and solid state physics 
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Published:
July 27, 2012
Editor(s):
Hossein G. Gilani; Katia G. Samper; Reza Khodaparast Haghi
Chemoinformatics: Advanced Control and Computational Techniques provides an important understanding of the main computational techniques used for processing chemical and biological structural data. The theoretical background to a number of techniques is introduced. General data analysis techniques 
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Published:
July 19, 2012
Editor(s):
Mihai V. Putz
QSAR and SPECTRAL-SAR in Computational Ecotoxicology presents a collection of studies based on the epistemological bulk data-information-knowledge of the chemicals used in green chemistry. It assesses a specific model of pattern characterization of concerned active substances at the bio-, eco-, and 
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$139.95
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Published:
March 23, 2012
Editor(s):
Beena Rai
Molecular modeling (MM) tools offer significant benefits in the design of industrial chemical plants and material processing operations. While the role of MM in biological fields is well established, in most cases MM works as an accessory in novel products/materials development rather than a tool 
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Published:
February 23, 2012
Author(s):
Eric Vieil
The subject of this book is truly original. By encoding of algebraic equations into graphs—originally a purely pedagogical technique—the exploration of physics and physical chemistry reveals common pictures through all disciplines. The hidden structure of the scientific formalism that appears is a 
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$159.95
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