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標題: Titlebook: Quantum Theory of Polymers; Proceedings of the N Jean-Marie André,Joseph Delhalle,János Ladik (Lehr Conference proceedings 1978 D. Reidel P [打印本頁]

作者: 連結    時間: 2025-3-21 16:56
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作者: 遠足    時間: 2025-3-21 20:52
Coupled Cluster many Electron Theory and the Cohesive Energy of Large Systems Consisting of Weakly The first goal of this lecture in the summer school is to present the coupled cluster many electron theory formulated with the use of the Feynman-like diagrams. The second goal is to show that this theory is applicable to the calculation of ground state energy of large systems consisting of weakly interacting subsystems.
作者: 澄清    時間: 2025-3-22 01:05
Electron States of Structurally-Disordered Chains,The great majority of calculations of the energy spectra of polymers have been performed on ideal chains. That is to say, they are the band structure calculations on extended periodic chains described by André and Delhalle in this volume.
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作者: 值得贊賞    時間: 2025-3-23 00:39
LCAO Methods for Band Structure Calculations of Polymers, the point of view of structural materials; biopolymers play a fundamental role in life process and molecular crystals built up from polymers like (SN). or the TTF-TCNQ system exhibit special physical characteristics. It is now hoped that more emphasis will be given to the synthesis of those polymers which present specific features.
作者: defray    時間: 2025-3-23 04:44
X-Ray Photoelectron Spectroscopy and its Application to Polymer Electronic Structure Studies,ure studies of molecules, solids and surfaces. Perhaps because of the length of its explicit name, X-ray photoelectron spectroscopy has become popular under the acronym E.S.C.A. (Electron Spectroscopy for Chemical Analysis).
作者: Compassionate    時間: 2025-3-23 08:17
Fourier Representation Methods in Electronic Structure Studies of Crystals and Polymers,eceive more attention is the effect of neighboring groups on the charge distribution in the vicinity of each atom of the system. The other feature, often not explicitly discussed, is the long-range effect of the inifite amount of charge (of both signs) of which the system is composed.
作者: 發(fā)電機    時間: 2025-3-23 09:50

作者: 仔細檢查    時間: 2025-3-23 17:10
Theoretical Models of Chemisorption of Ions and Small Molecules on Polymers,er, surface molecule, virtual state are introduced. The r?le of sites and of geometrical relaxation, as well as of polarization, is discussed with a view to laying the ground for the interpretation of the time-dependent properties of chemisorbed species: changes in optical spectra, residence times.
作者: 碎石    時間: 2025-3-23 18:30

作者: exhibit    時間: 2025-3-23 23:08
978-94-009-9814-8D. Reidel Publishing Company, Dordrecht, Holland 1978
作者: 不利    時間: 2025-3-24 05:55

作者: 幼稚    時間: 2025-3-24 08:02
P. Schusterbilit?t und Hyperbolizit?t), Ergodentheorie (z.B. Ergodens?tze, invariante Ma?e, Konservativit?t) und schlie?lich thermodynamischer Formalismus (z.B. Gibbs-Theorie, Zetafunktionen)..978-3-540-20713-9978-3-540-26700-3Series ISSN 0937-7433 Series E-ISSN 2512-5214
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作者: phytochemicals    時間: 2025-3-25 00:48

作者: 盡責    時間: 2025-3-25 04:53
S. Suhaibilit?t und Hyperbolizit?t), Ergodentheorie (z.B. Ergodens?tze, invariante Ma?e, Konservativit?t) und schlie?lich thermodynamischer Formalismus (z.B. Gibbs-Theorie, Zetafunktionen)..978-3-540-20713-9978-3-540-26700-3Series ISSN 0937-7433 Series E-ISSN 2512-5214
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作者: 把手    時間: 2025-3-26 03:10
Methods for the Treatment of Disordered Systems with Possible Applications to Aperiodic Polymers,ut often was the principle reason for startingly new and/or useful kinds of behavior. A partial list would include alloys, mixed crystals, liquid crystals, doped semiconductors, and of course amorphous semiconductors. Finally, of course, we must cap this list with the most interesting and startling
作者: nugatory    時間: 2025-3-26 06:06
Conference proceedings 1978e has been considerable progress in recent years in the methods applicable to the quantum theoretical treatment of polymers, not very many calculations of their properties have been performed. This is the reason that the title of this volume has been changed to "Quantum Theory of Polymers".
作者: 寬宏大量    時間: 2025-3-26 11:37
1389-2185 .N.) from August 31 till September 14, 1977. We wish to express our deepest gratitude to the Scientific Affairs Division of NATO, the main sponsor of this Institute, and to the Facultes Universitaires Notre Dame de la Paix and their Board who gave us generous financial help as well as accommodation
作者: 付出    時間: 2025-3-26 16:32

作者: 憤世嫉俗者    時間: 2025-3-26 18:35
The Evaluation of Electron Repulsion Integrals, the basis functions which are used for the expansion of the molecular orbitals ? . The same problem arises also in the crystal orbital calculations. In fact, it is the relative ease of computation of these electron repulsion integrals which determines the choice of the basis functions. Presently, a
作者: Mortal    時間: 2025-3-26 22:13

作者: 商品    時間: 2025-3-27 02:37
Quantum Mechanical Treatment of Excited Electronic States of Polymers,egree of accuracy. The starting point of the development is the eigenvalues and wave functions of the Hartree-Fock model. In this approximation the N lowest eigenvalues (of an N-electron system) of the Fock operator represent ionization energies according to Koopman’s theorem. No relaxation of the c
作者: 柏樹    時間: 2025-3-27 05:16

作者: Ardent    時間: 2025-3-27 12:34

作者: Aggressive    時間: 2025-3-27 15:55
Methods for the Treatment of Disordered Systems with Possible Applications to Aperiodic Polymers, over the years. Almost all real materials are disordered — even laboratory samples of “perfect” crystals contain impurities, vacancies, etc. The traditional techniques of solid state physics chose to ignore this truism because of the tremendously effective tools translational symmetry provides — th
作者: adipose-tissue    時間: 2025-3-27 18:10
Theoretical Models of Chemisorption of Ions and Small Molecules on Polymers,er, surface molecule, virtual state are introduced. The r?le of sites and of geometrical relaxation, as well as of polarization, is discussed with a view to laying the ground for the interpretation of the time-dependent properties of chemisorbed species: changes in optical spectra, residence times.
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作者: inchoate    時間: 2025-3-28 04:03

作者: 生命    時間: 2025-3-28 09:43
Energy Band Structure of Highly Conducting Polymers,ional (SN). chain resulted in a width of ~4.0 eV for the half-filled band. A coherent potential approximation (CPA) calculation of the (SN). and . mixed chain is in progress..MINDO/3 crystal orbital calculations of the neutral stacked TCNQ and TTF chains have given a band width of 0.56 eV for the co
作者: 蔑視    時間: 2025-3-28 11:12

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Conference proceedings 1978August 31 till September 14, 1977. We wish to express our deepest gratitude to the Scientific Affairs Division of NATO, the main sponsor of this Institute, and to the Facultes Universitaires Notre Dame de la Paix and their Board who gave us generous financial help as well as accommodation for the Sc
作者: MULTI    時間: 2025-3-28 21:58
Quantum Mechanical Treatment of Excited Electronic States of Polymers,ives eigenvalues which are related to electron affinities, namely the N+1 system. Thus one has solutions of the N+1 systems instead of excited states of the N system with no relaxation and correlation included.
作者: arsenal    時間: 2025-3-29 01:44
Hydrogen Bonding between Molecules or Ions and in Molecular Crystals,les are spread over unlimited regions due to the exponential decay of their wave functions (see eg. Ahlrichs [1976]). The source of these ambiguities is the mutual penetration of electron density distributions of the interacting subunits which can be expressed quantitatively in terms of overlap integrals.
作者: forecast    時間: 2025-3-29 06:55
Electronic Structure of Biopolymers,polyglycine and the interaction of this periodic protein model with different electron acceptors is presented. Finally, on the basis of the electronic structure of DNA and of proteins different possible mechanisms of chemical carcinogenesis are briefly described.
作者: 音樂會    時間: 2025-3-29 10:48
Energy Band Structure of Highly Conducting Polymers,nduction band of TCNQ (in good agreement with previous MINDO/2 calculation) and 0.52 eV for the valence band of TTF..Finally the necessary next steps in the theoretical investigation of the electronic structure of these highly conducting polymers are discussed.
作者: ALIAS    時間: 2025-3-29 12:59
P. Schustereorie.80 Beispiele und 50 Graphiken zur Veranschaulichung de.Dynamische Systeme stellen einen unverzichtbaren Bestandteil mathematischer .Modellbildung für Anwendungen aller Art dar, angefangen von Physik über Biologie .bis hin zur Informatik. Dieser Band führt in diese Theorie ein und beschreibt Me
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János J. Ladikeorie.80 Beispiele und 50 Graphiken zur Veranschaulichung de.Dynamische Systeme stellen einen unverzichtbaren Bestandteil mathematischer .Modellbildung für Anwendungen aller Art dar, angefangen von Physik über Biologie .bis hin zur Informatik. Dieser Band führt in diese Theorie ein und beschreibt Me
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P. Csavinszkyeorie.80 Beispiele und 50 Graphiken zur Veranschaulichung de.Dynamische Systeme stellen einen unverzichtbaren Bestandteil mathematischer .Modellbildung für Anwendungen aller Art dar, angefangen von Physik über Biologie .bis hin zur Informatik. Dieser Band führt in diese Theorie ein und beschreibt Me
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P. Csavinszkyeorie.80 Beispiele und 50 Graphiken zur Veranschaulichung de.Dynamische Systeme stellen einen unverzichtbaren Bestandteil mathematischer .Modellbildung für Anwendungen aller Art dar, angefangen von Physik über Biologie .bis hin zur Informatik. Dieser Band führt in diese Theorie ein und beschreibt Me
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S. Suhaieorie.80 Beispiele und 50 Graphiken zur Veranschaulichung de.Dynamische Systeme stellen einen unverzichtbaren Bestandteil mathematischer .Modellbildung für Anwendungen aller Art dar, angefangen von Physik über Biologie .bis hin zur Informatik. Dieser Band führt in diese Theorie ein und beschreibt Me
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eorie.80 Beispiele und 50 Graphiken zur Veranschaulichung de.Dynamische Systeme stellen einen unverzichtbaren Bestandteil mathematischer .Modellbildung für Anwendungen aller Art dar, angefangen von Physik über Biologie .bis hin zur Informatik. Dieser Band führt in diese Theorie ein und beschreibt Me
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,Pachyderms and Parks: Ecological Politics and East Africa’s National Parks,ernments. Ecological units and their science were sites for the contestation of power and influence, but also varied in their relation to administrators and national governments, particularly as they grappled with the problems of managing herbivore populations in national parks.
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Conclusions and Outlookthat such interworking solutions are only of a temporary character, and thus need not be dealt with in the most careful way. However, if one accepts our arguments for internetwork QoS being inherently heterogeneous, then such an approach can no longer be adhered to, but a more fundamental approach t
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Nancy H. Hensel,Patrick BlessingerFeatures contributions from over a dozen countries including Australia, Egypt, Brazil, South Africa, Germany, France, and Canada.First book-length study that surveys the international scope of undergr
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