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Ordinal Optimization

Ordinal Optimization PDF Author: Yu-Chi Ho
Publisher: Springer
ISBN: 9780387515533
Category : Mathematics
Languages : en
Pages : 317

Book Description
Performance evaluation of increasingly complex human-made systems requires the use of simulation models. However, these systems are difficult to describe and capture by succinct mathematical models. The purpose of this book is to address the difficulties of the optimization of complex systems via simulation models or other computation-intensive models involving possible stochastic effects and discrete choices. This book establishes distinct advantages of the "softer" ordinal approach for search-based type problems, analyzes its general properties, and shows the many orders of magnitude improvement in computational efficiency that is possible.

The Concept of the Chemical Bond

The Concept of the Chemical Bond PDF Author: Dieter Cremer
Publisher: Springer
ISBN:
Category : Science
Languages : en
Pages : 664

Book Description
The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.

The Concept of the Chemical Bond

The Concept of the Chemical Bond PDF Author: Zvonimir B. Maksic
Publisher: Springer
ISBN: 9783540515531
Category : Science
Languages : en
Pages : 544

Book Description
The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.

Theoretical Models of Chemical Bonding

Theoretical Models of Chemical Bonding PDF Author: Zvonimir B. Maksic
Publisher: Springer Science & Business Media
ISBN: 364258179X
Category : Science
Languages : en
Pages : 643

Book Description
The renowned theoretical physicist Victor F. Weisskopf rightly pointed out that a real understanding of natural phenomena implies a clear distinction between the essential and the peripheral. Only when we reach such an understanding - that is to say when we are able to separate the relevant from the irrelevant, will the phenomena no longer appear complex, but intelectually transparent. This statement, which is generally valid, reflects the very essence ofmodelling in the quantum theory of matter, on the molecular level in particular. Indeed, without theoretical models one would be swamped by too many details embodied in intricate accurate molecular wavefunctions. Further, physically justified simplificqtions enable studies of the otherwise intractable systems and/or phenomena. Finally, a lack of appropriate models would leave myriads of raw experimental data totally unrelated and incomprehensible. The present series ofbooks dwells on the most important models of chemical bonding and on the variety of its manifestations. In this volume the electronic structure and properties of molecules are considered in depth. Particular attention is focused on the nature of intramolecular interactions which in turn are revealed by various types ofmolecular spectroscopy. Emphasis is put on the conceptual and interpretive aspects of the theory in line with the general philosophy adopted in the series.

Theoretical Models of Chemical Bonding

Theoretical Models of Chemical Bonding PDF Author: Zvonimir B. Maksić
Publisher: Springer Science & Business Media
ISBN: 9783540522522
Category : Science
Languages : en
Pages : 668

Book Description
The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.

Theoretical Models of Chemical Bonding, Part 1

Theoretical Models of Chemical Bonding, Part 1 PDF Author: Zvonimir B. Maksić
Publisher: Springer Verlag
ISBN: 9780387515786
Category : Science
Languages : en
Pages : 0

Book Description


The Concept of the Chemical Bond

The Concept of the Chemical Bond PDF Author: Zvonimir B. Maksic
Publisher: Springer
ISBN: 9783642647734
Category : Science
Languages : en
Pages : 643

Book Description
The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.

Theoretical Models of Chemical Bonding

Theoretical Models of Chemical Bonding PDF Author: Zvonimir B. Maksic
Publisher: Springer
ISBN: 9783642581779
Category : Science
Languages : en
Pages : 0

Book Description
The state-of-the-art in contemporary theoretical chemistry is presented in this 4-volume set with numerous contributions from the most highly regarded experts in their field. It provides a concise introduction and critical evaluation of theoretical approaches in relation to experimental evidence.

Theoretical Models of Chemical Bonding

Theoretical Models of Chemical Bonding PDF Author: L. D. Barron
Publisher:
ISBN:
Category : Chemical bonds
Languages : en
Pages : 362

Book Description


Models for Bonding in Chemistry

Models for Bonding in Chemistry PDF Author: Valerio Magnasco
Publisher: John Wiley & Sons
ISBN: 1119957346
Category : Science
Languages : en
Pages : 232

Book Description
A readable little book assisting the student in understanding, in a nonmathematical way, the essentials of the different bonds occurring in chemistry. Starting with a short, self-contained,introduction, Chapter 1 presents the essential elements of the variation approach to either total or second-order molecular energies, the system of atomic units (au) necessary to simplify all mathematical expressions, and an introductory description of the electron distribution in molecules. Using mostly 2x2 Hückel secular equations, Chapter 2, by far the largest part of the book because of the many implications of the chemical bond, introduces a model of bonding in homonuclear and heteronuclear diatomics, multiple and delocalized bonds in hydrocarbons, and the stereochemistry of chemical bonds in polyatomic molecules, in a word, a model of the strong first-order interactions originating the chemical bond. In Chapter 3 the Hückel model of the linear polyene chain is used to explain the origin of band structure in the 1-dimensional crystal. Chapter 4 deals with a simple two-state model of weak interactions, introducing the reader to understand second-order electric properties of molecules and VdW bonding between closed shells. Lastly, Chapter 5 studies the structure of H-bonded dimers and the nature of the hydrogen bond, which has a strength intermediate between a VdW bond and a weak chemical bond. Besides a qualitative MO approach based on HOMO-LUMO charge transfer from an electron donor to an electron acceptor molecule, a quantitative electrostatic approach is presented yielding an electrostatic model working even at its simplest pictorial level. A list of alphabetically ordered references, author and subject indices complete the book.

The Chemical Bond

The Chemical Bond PDF Author: Gernot Frenking
Publisher: John Wiley & Sons
ISBN: 3527333142
Category : Science
Languages : en
Pages : 450

Book Description
This is the perfect complement to "Chemical Bonding - Across the Periodic Table" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community. The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemical models and faster computers.