- English
- ePUB (mobile friendly)
- Available on iOS & Android
eBook - ePub
About this book
In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 diffe
Frequently asked questions
Yes, you can cancel anytime from the Subscription tab in your account settings on the Perlego website. Your subscription will stay active until the end of your current billing period. Learn how to cancel your subscription.
At the moment all of our mobile-responsive ePub books are available to download via the app. Most of our PDFs are also available to download and we're working on making the final remaining ones downloadable now. Learn more here.
Perlego offers two plans: Essential and Complete
- Essential is ideal for learners and professionals who enjoy exploring a wide range of subjects. Access the Essential Library with 800,000+ trusted titles and best-sellers across business, personal growth, and the humanities. Includes unlimited reading time and Standard Read Aloud voice.
- Complete: Perfect for advanced learners and researchers needing full, unrestricted access. Unlock 1.4M+ books across hundreds of subjects, including academic and specialized titles. The Complete Plan also includes advanced features like Premium Read Aloud and Research Assistant.
We are an online textbook subscription service, where you can get access to an entire online library for less than the price of a single book per month. With over 1 million books across 1000+ topics, we’ve got you covered! Learn more here.
Look out for the read-aloud symbol on your next book to see if you can listen to it. The read-aloud tool reads text aloud for you, highlighting the text as it is being read. You can pause it, speed it up and slow it down. Learn more here.
Yes! You can use the Perlego app on both iOS or Android devices to read anytime, anywhere — even offline. Perfect for commutes or when you’re on the go.
Please note we cannot support devices running on iOS 13 and Android 7 or earlier. Learn more about using the app.
Please note we cannot support devices running on iOS 13 and Android 7 or earlier. Learn more about using the app.
Yes, you can access Chemical Reactivity Theory by Pratim Kumar Chattaraj in PDF and/or ePUB format, as well as other popular books in Physical Sciences & Industrial & Technical Chemistry. We have over one million books available in our catalogue for you to explore.
Information
Table of contents
- Cover
- Half Title
- Title Page
- Copyright Page
- Table of Contents
- Preface
- Editor
- Contributors
- 1 How I Came about Working in Conceptual DFT
- 2 Chemical Reactivity Concepts in Density Functional Theory
- 3 Quantum Chemistry of Bonding and Interactions
- 4 Concepts in Electron Density
- 5 Atoms and Molecules: A Momentum Space Perspective
- 6 Time-Dependent Density Functional Theory of Many-Electron Systems
- 7 Exchange-Correlation Potential of Kohn-Sham Theory: A Physical Perspective
- 8 Time-Dependent Density Functional Theory from a Bohmian Perspective
- 9 Time-Independent Theories for a Single Excited State
- 10 Spin-Polarized Density Functional Theory: Chemical Reactivity
- 11 Hardness of Closed Systems
- 12 Fukui Function and Local Softness as Reactivity Descriptors
- 13 Electrophilicity
- 14 Application of Density Functional Theory in Organometallic Complexes: A Case Study of Cp2M Fragment ( M=Ti,Zr ) in C-C Coupling and Decoupling Reactions
- 15 Atoms in Molecules and Population Analysis
- 16 Molecular Quantum Similarity
- 17 The Electrostatic Potential as a Guide to Molecular Interactive Behavior
- 18 Fukui Function
- 19 Shape Function
- 20 An Introduction to the Electron Localization Function
- 21 Reaction Force:
- 22 Characterization of Changes in Chemical Reactions by Bond Order and Valence Indices
- 23 Variation of Local Reactivity during Molecular Vibrations, Internal Rotations, and Chemical Reactions
- 24 Reactivity and Polarizability Responses
- 25 External Field Effects and Chemical Reactivity
- 26 Solvent Effects and Chemical Reactivity*
- 27 Conceptual Density Functional Theory: Toward an Alternative
- 28 Aromaticity and Chemical Reactivity
- 29 Multifold Aromaticity,
- 30 Probing the Coupling between Electronic and Geometric Structures of Open and Closed Molecular Systems
- 31 Predicting Chemical Reactivity and Bioactivity of Molecules from
- 32 Chemical Reactivity: Industrial Application
- 33 Electronic Structure of Confined Atoms
- 34 Computation of Reactivity Indices: Integer Discontinuity and Temporary Anions
- Index