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Title Applications of density functional theory to chemical reactivity / Mihai V. Putz, D. Michael P. Mingos, editors ; with contributions by A. Chatterjee [and others]
Published Berlin ; New York : Springer, ©2012

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Description 1 online resource
Series Structure and bonding, 0081-5993 ; 149
Structure and bonding ; 149.
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
Summary Mihai V. Putz Density Functional Theory of Bose-Einstein Condensation: Road to Chemical Bonding Quantum CondensateRoman F. Nalewajski Information Theory Insights into Molecular Electronic Structure and ReactivityGeorge 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 PerturbationAbhijit Chatterjee Application of Reactivity Indices within Density Functional Theory to Rationale Chemical Interactions
Analysis Chemistry
Inorganic Chemistry
Bibliography Includes bibliographical references and index
Subject Density functionals.
Reactivity (Chemistry)
Mathematical models.
Nuclear physics.
Physics.
Physical sciences.
Chemical models.
Molecular structure.
Quantum theory.
Biochemical Phenomena
Models, Theoretical
Chemical Phenomena
Nuclear Physics
Phenomena and Processes
Physics
Investigative Techniques
Analytical, Diagnostic and Therapeutic Techniques and Equipment
Natural Science Disciplines
Disciplines and Occupations
Models, Chemical
Molecular Structure
Quantum Theory
mathematical models.
nuclear physics.
physics.
physical sciences.
molecular structure.
Science des matériaux.
Chimie.
Quantum theory
Physics
Physical sciences
Nuclear physics
Molecular structure
Mathematical models
Chemical models
Density functionals
Reactivity (Chemistry)
Form Electronic book
Author Putz, Mihai V.
Mingos, D. M. P., 1944-
Chatterjee, A
ISBN 9783642327537
3642327532
3642327524
9783642327520