Perspectives in electronic structure theory
(eBook)

Book Cover
Published:
Berlin ; New York : Springer, ©2012., Berlin ; New York : Springer, [2012].
Format:
eBook
ISBN:
9783642201806, 3642201806, 3642201792, 9783642201790
Content Description:
1 online resource (xix, 718 pages) : illustrations
Status:
Available Online
Description

The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.

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APA Citation (style guide)

Nalewajski, R. F. (2012). Perspectives in electronic structure theory. Berlin ; New York, Springer.

Chicago / Turabian - Author Date Citation (style guide)

Nalewajski, R. F. 2012. Perspectives in Electronic Structure Theory. Berlin ; New York, Springer.

Chicago / Turabian - Humanities Citation (style guide)

Nalewajski, R. F, Perspectives in Electronic Structure Theory. Berlin ; New York, Springer, 2012.

MLA Citation (style guide)

Nalewajski, R. F. Perspectives in Electronic Structure Theory. Berlin ; New York, Springer, 2012.

Note! Citation formats are based on standards as of July 2022. Citations contain only title, author, edition, publisher, and year published. Citations should be used as a guideline and should be double checked for accuracy.
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Language:
English
UPC:
10.1007/978-3-642-20180-6.

Notes

Bibliography
Includes bibliographical references and index.
Description
The understanding in science implies insights from several different points of view. Alternative modern outlooks on electronic structure of atoms and molecules, all rooted in quantum mechanics, are presented in a single text. Together these complementary perspectives provide a deeper understanding of the localization of electrons and bonds, the origins of chemical interaction and reactivity behavior, the interaction between the geometric and electronic structure of molecules, etc. In the opening two parts the basic principles and techniques of the contemporary computational and conceptual quantum chemistry are presented, within both the wave-function and electron-density theories. This background material is followed by a discussion of chemical concepts, including stages of the bond-formation processes, chemical valence and bond-multiplicity indices, the hardness/softness descriptors of molecules and reactants, and general chemical reactivity/stability principles. The insights from Information Theory, the basic elements of which are briefly introduced, including the entropic origins and Orbital Communication Theory of the chemical bond, are the subject of Part IV. The importance of the non-additive (interference) information tools in exploring patterns of chemical bonds and their covalent and ionic components will be emphasized.
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