Applications of Density Functional Theory to Chemical Reactivity [E-Book] / edited by Mihai V. Putz, D. Michael P. Mingos.
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 Theor...
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Full text |
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Personal Name(s): | Putz, Mihai V. editor |
Mingos, D. Michael P. editor | |
Imprint: |
Berlin, Heidelberg :
Springer,
2012
|
Physical Description: |
IX, 189 p. 55 illus., 18 illus. in color. online resource. |
Note: |
englisch |
ISBN: |
9783642327537 |
DOI: |
10.1007/978-3-642-32753-7 |
Series Title: |
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Structure and Bonding ;
149 |
Subject (LOC): |
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 |