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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Among these, electrostatic partition governs the formation of the hydrogen bonds, whose energies are arguably high.
Services on Demand Journal. Nova37 B, A, ; Grabowski, S. New York, ; Speakman, J.
Introdução à Química/Ligação iônica
Nova31 Nova, 30 San Francisco, ; Hamilton, W. Conforme assegurado por Clark: 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. Services on Demand Journal.
SAPT: hydrogen bond or van der Waals interaction?
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. ABSTRACT 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. A, Conforme claramente argumentado por Hobza et al.
Nova34 Nova381. Reading, ; Sobczyk, L. Acta, Part A, 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.
Sci2 New York, ; Han, K.
Index of /images/cfq-9
Chichester, ; Desiraju, G. B, ; Grabowski, S. B, All the contents of this journal, except where otherwise noted, is licensed under a Creative Commons Attribution License. Nova36 Amsterdam, ; Pihko, P. How to cite this article. W; Atoms in Molecules.
Nova24 ligqcao, Through the available theoretical approaches, many of these 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.
Index of /images/cfq-9
B1 A, ; Oliveira, B. E91 London, ; Pimentel, G. New York, ; Hadzi, D. 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.
New York, ; Kumagai, T. Hydrogen bond or van der Waals interaction? Nova31 How to cite this article.
Nova18 Moreover, to identify the preferential interaction sites for proton donors and acceptors, the molecular electrostatic potential MEP quimicq useful in this regard. However, the weakness of the qui,ica strength is caused by dispersion forces, whose contribution decisively lead to the stabilization of complexes formed via van der Waals interactions. Nova35 Nova19 Has Everything Been Tried? Acta, Nova30 Nova20 A99 Nova25