Chemical reactivity theory : (Record no. 70016)
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| 000 -LEADER | |
|---|---|
| fixed length control field | 03643cam a2200313Ii 4500 |
| 001 - CONTROL NUMBER | |
| control field | 9780429137228 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 180331s2009 fluaf ob 001 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| ISBN | 9780429137228 |
| -- | (e-book : PDF) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| -- | (hardback) |
| 082 04 - CLASSIFICATION NUMBER | |
| Call Number | 541.394 |
| -- | C495 |
| 100 1# - AUTHOR NAME | |
| Author | Chattaraj, Pratim Kumar., |
| 245 10 - TITLE STATEMENT | |
| Title | Chemical reactivity theory : |
| Sub Title | a density functional view / |
| 300 ## - PHYSICAL DESCRIPTION | |
| Number of Pages | 1 online resource (xvii, 576 pages) |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Remark 2 | chapter 1 How I Came about Working in Conceptual DFT -- chapter 2 Chemical Reactivity Concepts in Density Functional Theory -- chapter 3 Quantum Chemistry of Bonding and Interactions -- chapter 4 Concepts in Electron Density -- chapter 5 Atoms and Molecules: A Momentum Space Perspective -- chapter 6 Time-Dependent Density Functional Theory of Many-Electron Systems -- chapter 7 Exchange-Correlation Potential of Kohn-Sham Theory: A Physical Perspective -- chapter 8 Time-Dependent Density Functional Theory from a Bohmian Perspective -- chapter 9 Time-Independent Theories for a Single Excited State -- chapter 10 Spin-Polarized Density Functional Theory: Chemical Reactivity -- chapter 11 Hardness of Closed Systems -- chapter 12 Fukui Function and Local Softness as Reactivity Descriptors -- chapter 13 Electrophilicity -- chapter 14 Application of Density Functional Theory in Organometallic Complexes: A Case Study of Cp2M Fragment (M¼Ti, Zr) in C-C Coupling and Decoupling Reactions -- chapter 15 Atoms in Molecules and Population Analysis -- chapter 16 Molecular Quantum Similarity -- chapter 17 The Electrostatic Potential as a Guide to Molecular Interactive Behavior -- chapter 18 Fukui Function -- chapter 19 Shape Function -- chapter 20 An Introduction to the Electron Localization Function -- chapter 21 Reaction Force: A Rigorously Defined Approach to Analyzing Chemical and Physical Processes -- chapter 22 Characterization of Changes in Chemical Reactions by Bond Order and Valence Indices -- chapter 23 Variation of Local Reactivity during Molecular Vibrations, Internal Rotations, and Chemical Reactions -- chapter 24 Reactivity and Polarizability Responses -- chapter 25 External Field Effects and Chemical Reactivity -- chapter 26 Solvent Effects and Chemical Reactivity* -- chapter 27 Conceptual Density Functional Theory: Toward an Alternative Understanding of Noncovalent Interactions -- chapter 28 Aromaticity and Chemical Reactivity -- chapter 29 Multifold Aromaticity, Multifold Antiaromaticity, and Conflicting Aromaticity: Implications for Stability and Reactivity of Clusters -- chapter 30 Probing the Coupling between Electronic and Geometric Structures of Open and Closed Molecular Systems -- chapter 31 Predicting Chemical Reactivity and Bioactivity of Molecules from Structure -- chapter 32 Chemical Reactivity: Industrial Application -- chapter 33 Electronic Structure of Confined Atoms -- chapter 34 Computation of Reactivity Indices: Integer Discontinuity and Temporary Anions. |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | https://www.taylorfrancis.com/books/9781420065442 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Koha item type | eBooks |
| 264 #1 - | |
| -- | Boca Raton : |
| -- | Taylor & Francis, |
| -- | 2009. |
| 336 ## - | |
| -- | text |
| -- | rdacontent |
| 337 ## - | |
| -- | computer |
| -- | rdamedia |
| 338 ## - | |
| -- | online resource |
| -- | rdacarrier |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Electron distribution. |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Chemical reaction, Conditions and laws of. |
| 650 #0 - SUBJECT ADDED ENTRY--SUBJECT 1 | |
| -- | Density functionals. |
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