Chemical Science of ?-Electron Systems, Takeshi Akasaka; Atsuhiro Osuka; Shunichi Fukuzumi
Àâòîð: Dietmar Stalke Íàçâàíèå: Electron Density and Chemical Bonding I ISBN: 3642439055 ISBN-13(EAN): 9783642439056 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 243800.00 T Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç. Îïèñàíèå: Overgaard: Charge Density Methods in Hydrogen Bond Studies.-U. Stalke: Some Main Group Chemical Perceptions in the Light of Experimental Charge Density Investigations.-D. Hauf: On the Nature of ss-Agostic Interactions: A Comparison Between the Molecular Orbital and Charge Density Picture.
Àâòîð: Eugene S. Kryachko; Eduardo V. Lude?a Íàçâàíèå: Energy Density Functional Theory of Many-Electron Systems ISBN: 0792306414 ISBN-13(EAN): 9780792306412 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 391830.00 T Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç. Îïèñàíèå: I would like to present to a wide circle of the readers working in quantum chem- istry and solid-state physics, as, -ell as in other fields of many-body physics and its interfaces, this book deyoted to density functional theory written by my colleagues Eugene S. Kryachko and Eduardo Y. Ludena. Their ways to this theory are rather different although basically both of them are quantum chemical. Eugene S. Kryachko came to energy density functional theory from the theory of reduced density matrices, and Eduardo \'. Ludena dewloped earlier the concept of loges in quantum chemistry. Neyertheless, their earlier interests giw the possibility to consolidate and formulate energy density functional theory in a unified and consistent way, in my opinion. Raymond Daudel Paris ACKNOWLEDGMENTS The authors are indebted to Carl Almbladh, Victor Va. Antonchenko, John Avery, Richard F. W. Bader, Ulf \'on Barth, Jean-Louis Calais, A. John Coleman, Jens P. Dahl, Robert Donnelly, Harold Englisch, Robert 1\1. Erdahl, Oswaldo Goscinski, John E. Harriman, Gintas Kamuntavichius, Illja G. Kaplan, Jaime Keller, \'alentin Khart- siev, Toshikatsu Koga, Per-Olov Lo\ydin, T. Tung Nguyen-Dang, Ivan Zh. Petkov, Jerome K. Percus, l\lary Beth Ruskai, John R. Sabin, Zdenek Slanina, \'ladimir Shi- rokov, l\lario V. Stoitsov, Yoram Tal, and \Vaitao Yang, who in one way or another, either through their kind support, help, discussions or valuable comments created the human and intellectual background which made this book possible.
Àâòîð: Vladimir A. Babkin, Gennady Efremovich Zaikov, A. Íàçâàíèå: Quantum-Chemical Calculation of Unique Molecular Systems vol.1 ISBN: 1926895754 ISBN-13(EAN): 9781926895758 Èçäàòåëüñòâî: Taylor&Francis Ðåéòèíã: Öåíà: 285830.00 T Íàëè÷èå íà ñêëàäå: Íåâîçìîæíà ïîñòàâêà. Îïèñàíèå:
The major goals of quantum chemistry include increasing the accuracy of the results for small molecular systems and increasing the size of large molecules that can be processed, which is limited by scaling considerations--the computation time increases as a power of the number of atoms. This book offers scope for academics, researchers, and engineering professionals to present their research and development works that have potential for applications in several disciplines of computational chemistry. Contributions range from new methods to novel applications of existing methods to gain an understanding of the concepts.
Àâòîð: Eugene D. Shchukin, Andrei S. Zelenev Íàçâàíèå: Physical-Chemical Mechanics of Disperse Systems and Materials ISBN: 1466567090 ISBN-13(EAN): 9781466567092 Èçäàòåëüñòâî: Taylor&Francis Ðåéòèíã: Öåíà: 163330.00 T Íàëè÷èå íà ñêëàäå: Íåâîçìîæíà ïîñòàâêà. Îïèñàíèå:
Physical-Chemical Mechanics of Disperse Systems and Materials is a novel interdisciplinary area in the science of the disperse state of matter. It covers the broad spectrum of objects and systems with dimensions ranging from nanometers to millimeters and establishes a fundamental basis for controlling and tuning the properties of these systems as well as the processes taking place in them.
Physical-chemical mechanics focuses on the analysis of the complex physical-chemical interfacial phenomena taking place both in the transition of a dispersed system into a material, such as in the course of pressing, sintering, hydration hardening, and sol-gel transitions, and in the course of the dispersion of bulk materials taking place in milling, mechanical treatment, friction and wear, and fracturing. These studies are based on thorough experimental investigation of contact interactions between particles in these processes.
The book is divided into two sections. The first section covers basic principles of the formation, stability and rupture of contacts between particles in different media and in surfactant solutions, as well as the properties of coagulation structures and their rheology. The second section covers surface phenomena taking place in solid-like structures with phase contacts and in compact bodies with an emphasis on several applications and processes as well as the special role of the Rehbinder effect.
Where appropriate and relevant, the book presents essays on specific significant and principal studies, such as the damageability of crystal and glass surfaces, the strength of industrial catalysts, the nano-mechanisms of cement hardening, the role of the structure-mechanical barrier in the stabilization of fluorinated systems, and contact interactions in papermaking. It also devotes attention to experimental methods used in physical-chemical mechanics, the direct measurement of contact strength, and relevant instrumentations.
The book utilizes the content used over many years in lecture courses and includes fundamental material on colloid and surface chemistry, the strength of materials, rheology, and tensors, which makes it well suited for novices and experts in the field.
Àâòîð: Paul G. Mezey; Beverly E. Robertson Íàçâàíèå: Electron, Spin and Momentum Densities and Chemical Reactivity ISBN: 0792360850 ISBN-13(EAN): 9780792360858 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 204040.00 T Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç. Îïèñàíèå: The electron density of a non-degenerate ground state system determines essentially all physical properties of the system. If the functional form of a molecular electron density is known, then various molecular properties affecting reactivity can be determined by quantum chemical computational techniques or alternative approximate methods.
Àâòîð: Philip Coppens; Michael B. Hall Íàçâàíèå: Electron Distributions and the Chemical Bond ISBN: 1461334691 ISBN-13(EAN): 9781461334699 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 81050.00 T Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç. Îïèñàíèå: We are most indebted to the Divisions of Inorganic and Phy- sical Chemistry of the American Chemical Society, which provided the stimulus for the symposium and gave generous financial support.
Àâòîð: Dietmar Stalke Íàçâàíèå: Electron Density and Chemical Bonding II ISBN: 3642441564 ISBN-13(EAN): 9783642441561 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 261210.00 T Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç. Îïèñàíèå: Chodkiewicz: New Directions in Pseudoatom-Based X-Ray Charge Density Analysis.-B. Fink: Challenging Problems in Charge Density Determination: Polar Bonds and Influence of the Environment.-S. Reiher: Electron Density in Quantum Theory.-K.
Àâòîð: R. Holub; P. Vonka Íàçâàíèå: The Chemical Equilibrium of Gaseous Systems ISBN: 9027705569 ISBN-13(EAN): 9789027705563 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 158380.00 T Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç. Îïèñàíèå: It is the purpose of this book to present a concise and sufficiently detailed de- scription of the present state and possibilities of calculating chemical equilibria of gas mixtures.
Àâòîð: John T. Edward; R. Schaal Íàçâàíèå: Chemical Kinetics of Homogeneous Systems ISBN: 9027704465 ISBN-13(EAN): 9789027704467 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 139750.00 T Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç.
Àâòîð: Alessandro Bencini; Dante Gatteschi Íàçâàíèå: Electron Paramagnetic Resonance of Exchange Coupled Systems ISBN: 3642746012 ISBN-13(EAN): 9783642746017 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 60940.00 T Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç. Îïèñàíèå: In the first two chapters we review the foundations of exchange interactions, trying to show how the magnetic parameters are bound to the electronic structure of the interacting centers.
Àâòîð: Jean Maruani; Souad Lahmar; Gerardo Delgado-Barrio Íàçâàíèå: Topics in the Theory of Chemical and Physical Systems ISBN: 9401781230 ISBN-13(EAN): 9789401781237 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 167700.00 T Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç. Îïèñàíèå: This volume contains a selection of papers presented at the 10th European Workshop on Quantum Systems in Chemistry and Physics, held in Tunisia, from September 1st to 7th, 2005. The volume offers unique insights into the fields of quantum chemical methods, molecular structure and spectroscopy, complexes and clusters.
Àâòîð: Teraoka Íàçâàíèå: Statistical Thermodynamics: Basics and Application s to Chemical Systems ISBN: 1118305116 ISBN-13(EAN): 9781118305119 Èçäàòåëüñòâî: Wiley Ðåéòèíã: Öåíà: 86540.00 T Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç. Îïèñàíèå: Written to introduce readers to molecular descriptions of thermodynamics, chemical systems, and biomolecules, Statistical Thermodynamics discusses the aspects of statistical thermodynamics of most use and interest to chemistry students.
