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The Fragments-in-Molecules Method Ill. Inductive and Mesomeric Effects

Martin Klessinger ; Organisch-Chemisches Institut der Universitat, D-4400 Munster, W-Germany

Puni tekst: engleski, pdf (3 MB) str. 397-403 preuzimanja: 56* citiraj
APA 6th Edition
Klessinger, M. (1983). The Fragments-in-Molecules Method Ill. Inductive and Mesomeric Effects. Croatica Chemica Acta, 56 (3), 397-403. Preuzeto s https://hrcak.srce.hr/194209
MLA 8th Edition
Klessinger, Martin. "The Fragments-in-Molecules Method Ill. Inductive and Mesomeric Effects." Croatica Chemica Acta, vol. 56, br. 3, 1983, str. 397-403. https://hrcak.srce.hr/194209. Citirano 25.02.2021.
Chicago 17th Edition
Klessinger, Martin. "The Fragments-in-Molecules Method Ill. Inductive and Mesomeric Effects." Croatica Chemica Acta 56, br. 3 (1983): 397-403. https://hrcak.srce.hr/194209
Harvard
Klessinger, M. (1983). 'The Fragments-in-Molecules Method Ill. Inductive and Mesomeric Effects', Croatica Chemica Acta, 56(3), str. 397-403. Preuzeto s: https://hrcak.srce.hr/194209 (Datum pristupa: 25.02.2021.)
Vancouver
Klessinger M. The Fragments-in-Molecules Method Ill. Inductive and Mesomeric Effects. Croatica Chemica Acta [Internet]. 1983 [pristupljeno 25.02.2021.];56(3):397-403. Dostupno na: https://hrcak.srce.hr/194209
IEEE
M. Klessinger, "The Fragments-in-Molecules Method Ill. Inductive and Mesomeric Effects", Croatica Chemica Acta, vol.56, br. 3, str. 397-403, 1983. [Online]. Dostupno na: https://hrcak.srce.hr/194209. [Citirano: 25.02.2021.]

Sažetak
Within the framework of the recently developed FIM method
the interaction of FO's is evaluated in two steps: inductive perturbations
are calculated on the basis of the generalized product
approach treating each fragment in the field of all other fragments.
The mesomeric interactions in the composite system are then
obtained from SCF calculations based on these FO's. Applications
to re systems based on the PPP approximation as well as applications
based on the CND0/2 approach show that this definition of
inductive and mesomeric effects is quite natural and useful in
discussing the electronic structure of organic molecules.

Hrčak ID: 194209

URI
https://hrcak.srce.hr/194209

Posjeta: 183 *