Applications of Density Functional Theory to Chemical Reactivity

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...

Πλήρης περιγραφή

Λεπτομέρειες βιβλιογραφικής εγγραφής
Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
Άλλοι συγγραφείς: Putz, Mihai V. (Επιμελητής έκδοσης), Mingos, D. Michael P. (Επιμελητής έκδοσης)
Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
Γλώσσα:English
Έκδοση: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2012.
Σειρά:Structure and Bonding, 149
Θέματα:
Διαθέσιμο Online:Full Text via HEAL-Link
Περιγραφή
Περίληψη: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.
Φυσική περιγραφή:IX, 189 p. online resource.
ISBN:9783642327537
ISSN:0081-5993 ;