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: 36570.00 ð. 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: Dietmar Stalke Íàçâàíèå: Electron Density and Chemical Bonding II ISBN: 3642441564 ISBN-13(EAN): 9783642441561 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 39182.00 ð. 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: C. Vidal; A. Pacault Íàçâàíèå: Non-Equilibrium Dynamics in Chemical Systems ISBN: 3642701981 ISBN-13(EAN): 9783642701986 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 12577.00 ð. Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç.
Îïèñàíèå: Markedly apart from elementary particle physics, another current has been building up and cont i nuous ly growi ng within contemporary phys i cs for severa 1 decades, and even expanding into many other disciplines, especially chemistry, biology and, quite recently, economics. Several reasons account for this: presumably the most impor- tant one lies in the fact that, whatever the specific problem, model or material concerned, the same basic mathematical features are always involved. In this way, a general phenomenology has emerged which, unlike thermodynamics, is no longer depen- dent upon the details or specifics: what largely prevails is the nonlinear charac- ter of the underlying dynamics. Perhaps we are witnessing the emergence of a "non- linear physics" - in a way similar to the birth of "quantum physics" in the twen- ties - a physics which deals with the general behaviour of systems, whatever they are or may be. Over the past fifteen years, chemical systems evolving sufficiently far from equilibrium have proved to be particularly well fitted to experimental research on nonlinear behaviour: oscillation, multistability, birhythmicity, chaotic evolution, spatial self-organization and hysteresis are displayed by chemical reactions whose number is growing each year. In this volume are collected the lectures, communica- tions and posters (abstracts) presented at an international meeting entitled: "Non-Equilibrium Dynamics in Chemical Systems," held in Bordeaux (France), Septem- ber 3 rd-lth, 1984.
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.
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: 30606.00 ð. 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: 12157.00 ð. 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: R. Holub; P. Vonka Íàçâàíèå: The Chemical Equilibrium of Gaseous Systems ISBN: 9027705569 ISBN-13(EAN): 9789027705563 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 23757.00 ð. 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: 20962.00 ð. Íàëè÷èå íà ñêëàäå: Åñòü ó ïîñòàâùèêà Ïîñòàâêà ïîä çàêàç.
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: 58774.00 ð. 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: Alessandro Bencini; Dante Gatteschi Íàçâàíèå: Electron Paramagnetic Resonance of Exchange Coupled Systems ISBN: 3642746012 ISBN-13(EAN): 9783642746017 Èçäàòåëüñòâî: Springer Ðåéòèíã: Öåíà: 9141.00 ð. 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: 25155.00 ð. 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.
