Literatura académica sobre el tema "Hammond’s postulate"

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Artículos de revistas sobre el tema "Hammond’s postulate"

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Carreón-Macedo, José-Luis, Jeremy N. Harvey, and Rinaldo Poli. "The Reductive Elimination of Methane fromansa-Hydrido(methyl)metallocenes of Molybdenum and Tungsten: Application of Hammond’s Postulate to Two-State Reactions." European Journal of Inorganic Chemistry 2005, no. 15 (2005): 2999–3008. http://dx.doi.org/10.1002/ejic.200500236.

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Salazar-Barrientos, Jesús Iván, José Manuel Guevara-Vela, Marco A. García-Revilla, et al. "Effect of Explicit Hydration on the Cisplatin Reaction Mechanism with Adenine and Guanine." Molecules 30, no. 3 (2025): 510. https://doi.org/10.3390/molecules30030510.

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Cisplatin is still a first-line agent in cancer treatment due to its effectiveness. Despite the large body of research concerning this drug, the role of explicit water molecules in its mechanism remains uncertain. We addressed the addition of cisplatin with the nitrogenous DNA bases adenine and guanine, with an emphasis on the impact of explicit microsolvation on every step of the action pathway of this pharmaceutical. We used electronic structure calculations to explore the energetics of the key reactions of this mechanism. We also exploited state-of-the-art methods of wave function analyses,
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YARNELL, AMANDA. "HAMMOND POSTULATE." Chemical & Engineering News Archive 81, no. 20 (2003): 42. http://dx.doi.org/10.1021/cen-v081n020.p042.

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Petersson, G. A., T. G. Tensfeldt, and J. A. Montgomery. "Vinylidene and the Hammond postulate." Journal of the American Chemical Society 114, no. 15 (1992): 6133–38. http://dx.doi.org/10.1021/ja00041a034.

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Nalewajski, Roman F., and Elżbieta Broniatowska. "Information distance approach to Hammond postulate." Chemical Physics Letters 376, no. 1-2 (2003): 33–39. http://dx.doi.org/10.1016/s0009-2614(03)00915-1.

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Denisov, E. T. "The Hammond postulate: A quantitative interpretation." Russian Journal of Physical Chemistry B 2, no. 3 (2008): 343–49. http://dx.doi.org/10.1134/s1990793108030020.

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Cremer, Dieter, and Elfi Kraka. "Verification and Quantification of the Hammond-Leffler Postulate." Revista Processos Químicos 6, no. 11 (2012): 27–30. http://dx.doi.org/10.19142/rpq.v6i11.152.

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O postulado de Hammond-Leffl er prevê que reações exotérmicas possuem estados de transições (ET) mais similares a estrutura dos reagentes e as reações endotérmicas mais similares aos produtos. Nós mostramos que esta previsão pode ser verifi cada calculandose a trajetória de reação e a sua curvatura utilizando métodos de química quântica. A trajetória escalar da curvatura adota o ponto máximo da reação onde há a quebra e a formação de ligações durante o processo químico. É sempre possível defi nir o centro da área desta trajetória. A mudança do ET em relação a este centro muda linearmente com a
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Hiranmay, Maity, and Reddy Govardhan. "Transition state ensemble in salt induced protein folding follows Hammond's postulate." Journal of Indian Chemical Society Vol. 96, Jul 2019 (2019): 981–90. https://doi.org/10.5281/zenodo.5644788.

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Solid State and Structural Chemistry Unit, Indian Institute of Science, Bengaluru-560 012, India <em>E-mail</em>: greddy@iisc.ac.in <em>Manuscript received online 02 May 2019, revised and accepted 28 May 2019</em> The transition state ensemble (TSE) plays a key role in determining the folding time scale of small single domain proteins, which exhibit two-state folding kinetics. Salts can change the stability of protein conformations and strongly influence the protein structure in the TSE. In this paper we studied the effect of protective salts, which stabilise the protein folded states, on the
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Scala, Alfred A. "Free Radical Halogenation, Selectivity, and Thermodynamics: The Polanyi Principle and Hammond's Postulate." Journal of Chemical Education 81, no. 11 (2004): 1661. http://dx.doi.org/10.1021/ed081p1661.

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Meany, J. E., Vicky Minderhout, and Y. Pocker. "Application of Hammond's Postulate. An Activity for Guided Discovery Learning in Organic Chemistry." Journal of Chemical Education 78, no. 2 (2001): 204. http://dx.doi.org/10.1021/ed078p204.

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Tesis sobre el tema "Hammond’s postulate"

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Maity, Hiranmay. "Co-solvent Induced Protein Collapse and Folding." Thesis, 2018. https://etd.iisc.ac.in/handle/2005/4893.

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An unfolded protein under favorable conditions navigates its complex energy landscape on a time scale of milliseconds to seconds and folds into a specific three dimensional structure. The mechanism of protein folding is affected by multiple factors such as temperature, pressure, pH and co-solvents. In this thesis using coarse-grained protein models and molecular dynamics simulations, I have studied various aspects of cosolvent induced protein folding. I have specifically addressed problems related to the early stages of protein folding, transient intermediates populated in the folding pa
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Capítulos de libros sobre el tema "Hammond’s postulate"

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Elliott, Mark C. "The Hammond Postulate." In How to Succeed in Organic Chemistry. Oxford University Press, 2020. http://dx.doi.org/10.1093/hesc/9780198851295.003.0040.

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The Hammond Postulate—An Explanation The Hammond postulate is a truly elegant and simple idea. When I was taught it, I was taught the words. I don’t think I really understood the implications of them. Let’s start with the words anyway. ‘If two states, as, for...
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Bansal, Anshul. "General Principles of Organic Reaction Mechanism." In Basics of Organic Chemistry: A Textbook for Undergraduate Students. BENTHAM SCIENCE PUBLISHERS, 2024. http://dx.doi.org/10.2174/9789815223224124010004.

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This chapter presents an in-depth examination of the fundamental principles underlying organic reaction mechanisms, a critical area for understanding and predicting chemical behavior in organic chemistry. The chapter begins with arrow notations, the symbolic representation of electron movement in chemical reactions, which provides a visual and conceptual framework for tracking changes during reactions. The roles of various reagents are explored, differentiating between electrophiles and nucleophiles based on their electronaccepting and electron-donating characteristics. This distinction is cru
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