Nanoscience and Advancing Computational Methods in Chemistry > Chapter 5: DFT Correlation of the Site Selectivity of Donor-Acceptor Chemical Interaction

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Nanoscience and Advancing Computational Methods in Chemistry

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Table of Contents

Title Page

Editorial Advisory Board

List of Reviewers

Preface

Chapter 1: Cluster Origin of Solvent Features of Fullerenes, Single-Wall Carbon Nanotubes, Nanocones, and Nanohorns

Chapter 2: Dipole Moment as a Possible Diagnostic Descriptor of the Conformational Isomerism of the Ammonia Molecule1

Chapter 3: Commonality in the Origin and the Manifestation in the Real World of Electronegativity and Hardness

Chapter 4: Nanoroots of Quantum Chemistry Atomic Radii, Periodic Behavior, and Bondons

Chapter 5: DFT Correlation of the Site Selectivity of Donor-Acceptor Chemical Interaction

ABSTRACT

INTRODUCTION

RESULTS AND DISCUSSION

CONCLUSION

APPENDIX

Chapter 6: Biological Synthesis of Silver Nanoparticles and their Functional Properties

Chapter 7: Nanostructured Metal Oxide Gas Sensor

Chapter 8: On the Modeling of Carbon Nanotubes as Drug Delivery Nanocapsules

Chapter 9: Probing the Reactive Center for Site Selective Protonation in a Molecule by the Local Density Functional Descriptors

Chapter 10: On the Method of the Determination of the Global Hardness of Atoms and Molecules

Compilation of References

About the Contributors

Index

144 DFT Correlation of the Site Selectivity of DonorAcceptor Chemical Interaction Dulal C Ghosh University of Kalyani, India Soma Bhattacharyya University of Kalyani, India Chapter 5

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Chapter 5: DFT Correlation of the Site Selectivity of Donor-Acceptor Chemica... - Pg. 144