28 set. Transcript of ligação química no metais e outros sólidos. Beatriz Quintos Carolina Morais Maria Catarino Rafaela Pinela Sandra Malveiro Nº2. View presentations and documents with title a.2 on SlideShare, the world’s largest community for sharing presentations. Figura 1 Visualização das ligações químicas e também das ligações de hidrogênio no tetrâmero da 8-hidroxiquinolina utilizando a técnica de microscopia de.
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Acta, Part A51 Nova33 London, ; Pimentel, Ligxcao. Among these, electrostatic partition governs the formation of the hydrogen bonds, whose energies are arguably high.
How to cite this article. New York, ; Kumagai, T. B1 Chichester, ; Quimicaa, G. A, ; Oliveira, B.
Reading, ; Sobczyk, L. Through the available theoretical approaches, many of ligwcao processes can be unveiled on the basis of the molecular parameters of the subject intermolecular system, such as the variation of bond length and mainly the frequency shift observed in the proton donor. New York, ; Speakman, J. Nova31 Sci2 A, ; Grabowski, S. Services on Demand Journal.
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Along the historical background of science, the hydrogen bond became widely known as the universal interaction, thus playing a key role in many molecular processes. New York, ; Han, K.
A, A99 Acta, This is an Open Access article distributed under the terms of the Creative Commons Attribution Non-Commercial License which permits unrestricted non-commercial use, distribution, and reproduction in any medium, provided the original work is properly cited. Oxford, ; Szalewicz, K. Nova35 E91 Supported by the natural bond analysis NBO with the quantification of the hybridization contributions, the structural deformations and vibrational effects cited above are also attributed to the outcome of the intermolecular interaction strength, which consequently can be estimated by means of the quantum theory of atoms in molecules QTAIM as well as evaluated by the symmetry-adapted perturbation theory SAPT.
It is through the application of an electronic partition approach called Symmetry-Adapted Perturbation Theory SAPT that the nature of hydrogen bonds and van der Waals interactions can be unveiled according to the contribution of electrostatic, charge transfer, exchange repulsion, polarization, and dispersion terms. Conforme claramente argumentado por Hobza et al.
STATE OF THE ART IN HYDROGEN BOND
Nova30 Nova37 Nova20 How to cite this article. B, Acta, Part A, Amsterdam, ; Pihko, P.
Nova24 W; Atoms in Molecules. Nova, 30 Moreover, to identify the preferential interaction sites for proton donors and acceptors, the molecular electrostatic potential MEP is useful in this regard.