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Applications of Density Functional Theory to Chemical Reactivity

  • Mihai V. Putz
  • D. Michael P. Mingos
Book

Part of the Structure and Bonding book series (STRUCTURE, volume 149)

About this book

Introduction

Mihai V. Putz  Density Functional Theory of Bose-Einstein Condensation: Road to Chemical Bonding Quantum Condensate

Roman F. Nalewajski  Information Theory Insights into Molecular Electronic Structure and Reactivity

George Maroulis         Applying Conventional Ab Initio and Density Functional Theory Approaches to Electric Property Calculations. Quantitative Aspects and Perspectives.

Sourav Pal Descriptors as Probes for Inter-Molecular Interactions and External Perturbation

Abhijit Chatterjee       Application of Reactivity Indices within Density Functional Theory to Rationale Chemical Interactions

Editors and affiliations

  • Mihai V. Putz
    • 1
  • D. Michael P. Mingos
    • 2
  1. 1., Structural and Computational Physical-ChWest University of TimisoaraTimişoaraRomania
  2. 2., Inorganic Chemistry LaboratoryUniversity of OxfordOxfordUnited Kingdom

Bibliographic information