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Bestseller
BestsellerE-book
Author Nalewajski, R. F. (Roman F.)

Title Charge sensitivity approach to electronic structure and chemical reactivity / Roman F. Nalewajski, Jacek Korchowiec.

Publication Info. Singapore ; River Edge, NJ : World Scientific, [1997]
©1997
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Online eBook. Access restricted to current Rider University students, faculty, and staff.
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Description 1 online resource (xiv, 295 pages) : illustrations.
Physical Medium polychrome
Description text file
Series Advanced series in physical chemistry ; vol. 8
Advanced series in physical chemistry ; vol. 8.
Bibliography Includes bibliographical references (pages 279-284) and index.
Contents 1. Introductory Survey -- 2. Atomic Charge Sensitivities -- 3. Concepts and Relations of Molecular Charge Sensitivity Analysis -- 4. Concepts for Chemical Reactivity -- 5. Illustrative Applications to Model Catalytic Systems -- 6. Charge Sensitivities in Kohn-Sham Theory -- 7. Elements of the Orbitally-Resolved CSA -- App. A. Variational Principle for the Fukui Function and the Minimum Hardness Principle -- App. B. Relaxed Fragment Transformation of the Hardness Matrix in M = (A/B) Systems -- App. C. AIM/PNM-Resolved Intersecting-State Model -- App. D. Bond-Multiplicities From One-Determinantal, Difference Approach -- App. E. GUHF and UHF Energy Expressions and Their Derivatives with Respect to the Spin-Resolved Density Matrices.
Local Note eBooks on EBSCOhost EBSCO eBook Subscription Academic Collection - North America
Subject Reactivity (Chemistry)
Reactivity (Chemistry)
Electronic structure.
Electronic structure.
Genre/Form Electronic books.
Added Author Korchowiec, Jacek.
Other Form: Print version: Nalewajski, R.F. (Roman F.). Charge sensitivity approach to electronic structure and chemical reactivity. Singapore ; River Edge, NJ : World Scientific, ©1997 9810222459 (OCoLC)36780944
ISBN 9789812831002 (electronic book)
9812831002 (electronic book)
9810222459
9789810222451

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