Quantification and Analysis of Intramolecular Interactions

Quantification and Analysis of Intramolecular Interactions

Non-covalent interactions play a prominent role in chemistry and biology. While a myriad of theoretical methods have been devised to quantify and analyze intermolecular interactions, the theoretical toolbox for the intramolecular analogues is much scarcer. Yet interactions within molecules...

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Bibliographic Details
Main Authors: Jérôme F. Gonthier, Clémence Corminboeuf
Format: Article
Language:deu
Published: Swiss Chemical Society 2014-04-01
Series:CHIMIA
Subjects:
Chemical hamiltonian approach (cha)
Interacting quantum atoms (iqa)
Intramolecular interactions
Natural bond orbital (nbo)
Strictly localized orbitals (slos)
Symmetry-adapted perturbation theory (sapt)
Online Access:https://www.chimia.ch/chimia/article/view/5546

Internet

https://www.chimia.ch/chimia/article/view/5546

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