Research Catalog
Applications of density functional theory to chemical reactivity
- Title
- Applications of density functional theory to chemical reactivity / Mihai V. Putz, D. Michael P. Mingos, editors ; with contributions by A. Chatterjee, G. Maroulis, R.F. Nalewajski, S. Pal, M.V. Putz.
- Publication
- Heidelberg : Springer, ©2012.
Items in the Library & Off-site
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1 Item
| Status | Format | Access | Call Number | Item Location |
|---|---|---|---|---|
| Text | Use in library | 8381.887 vol.149 | Off-site |
Details
- Additional Authors
- Description
- ix, 189 pages : illustrations (some color); 24 cm.
- Series Statement
- Structure and bonding, 0081-5993 ; 149
- Uniform Title
- Structure and bonding ; 149.
- Subject
- Density functionals
- Reactivity (Chemistry)
- Chemical models
- Molecular structure
- Quantum theory
- Chemical Phenomena
- Models, Chemical
- Molecular Structure
- Quantum Theory
- molecular structure
- Quantum theory
- Molecular structure
- Chemical models
- Density functionals
- Chemische Verbindungen
- Reaktivität
- Dichtefunktionalformalismus
- Bibliography (note)
- Includes bibliographical references and index.
- Contents
- Density functional theory of Bose-Einstein condensation: road to chemical bonding quantum condensate / Mihai V. Putz -- Information theory Insights into molecular electronic structure and reactivity / Roman F. Nalewajski -- Applying conventional ab initio and density functional theory approaches to electric property calculations. Quantitative aspects and perspectives / George Maroulis -- Descriptors as probes for inter-molecular interactions and external perturbation / Sourav Pal -- Application of reactivity indices within density functional theory to rationale chemical interactions / Abhijit Chatterjee.
- ISBN
- 9783642327520
- 3642327524
- 9783642327537
- 3642327532
- LCCN
- 2012955472
- OCLC
- ocn806019897
- 806019897
- SCSB-1813674
- Owning Institutions
- Princeton University Library