Research Catalog
Charge sensitivity approach to electronic structure and chemical reactivity
- Title
- Charge sensitivity approach to electronic structure and chemical reactivity / Roman F. Nalewajski, Jacek Korchowiec.
- Author
- Nalewajski, R. F. (Roman F.)
- Publication
- Singapore ; River Edge, NJ : World Scientific, [1997], ©1997.
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1 Item
| Status | Format | Access | Call Number | Item Location |
|---|---|---|---|---|
| Text | Request in advance | QD505.5 .N35 1997g | Off-site |
Holdings
Details
- Additional Authors
- Korchowiec, Jacek.
- Description
- xiv, 295 pages : illustrations; 23 cm.
- Series Statement
- Advanced series in physical chemistry ; vol. 8
- Uniform Title
- Advanced series in physical chemistry ; v. 8.
- Subjects
- Bibliography (note)
- Includes bibliographical references (p. 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. The 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.
- ISBN
- 9810222459
- OCLC
- ocm36780944
- Owning Institutions
- Columbia University Libraries