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Applications of density functional theory to chemical reactivity

Author: Mihai V Putz; D M P Mingos; A Chatterjee; et al
Publisher: Berlin ; New York : Springer, ©2012.
Series: Structure and bonding, 149.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Database:WorldCat
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  Read more...
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Genre/Form: Electronic books
Additional Physical Format: Printed edition:
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Mihai V Putz; D M P Mingos; A Chatterjee; et al
ISBN: 9783642327537 3642327532 3642327524 9783642327520
OCLC Number: 826630696
Notes: Includes index.
Description: 1 online resource.
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.
Series Title: Structure and bonding, 149.
Responsibility: Mihai V. Putz, D. Michael P. Mingos, editors ; with contributions by A. Chatterjee...[et al.].
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Abstract:

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

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