Academic literature on the topic 'Cyclic delocalization'

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Journal articles on the topic "Cyclic delocalization"

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Paudel, Hari Ram, Lucas José Karas та Judy I.-Chia Wu. "On the reciprocal relationship between σ-hole bonding and (anti)aromaticity gain in ketocyclopolyenes". Organic & Biomolecular Chemistry 18, № 27 (2020): 5125–29. http://dx.doi.org/10.1039/d0ob01076f.

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σ-Hole bonding interactions (e.g., tetrel, pnictogen, chalcogen, and halogen bonding) can polarize π-electrons to enhance cyclic [4n] π-electron delocalization (i.e., antiaromaticity gain) or cyclic [4n + 2] π-electron delocalization (i.e., aromaticity gain).
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Arrieta, Ana, Abel de Cozar, and Fernando P. Cossio. "Cyclic Electron Delocalization in Pericyclic Reactions." Current Organic Chemistry 15, no. 20 (2011): 3594–608. http://dx.doi.org/10.2174/138527211797636165.

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Baranac-Stojanović, Marija. "Cyclic π Electron Delocalization in Fluoroborazines". Journal of Physical Chemistry A 117, № 45 (2013): 11540–47. http://dx.doi.org/10.1021/jp407454x.

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Mandziuk, Margaret. "Hydrogen Delocalization in Cyclic Water Clusters." Journal of Physical Chemistry A 108, no. 1 (2004): 121–26. http://dx.doi.org/10.1021/jp035117z.

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Politzer, Peter, M. Edward Grice, Jane S. Murray та Jorge M. Seminario. "Anomalous stabilizing and destabilizing effects in some cyclic π-electron systems". Canadian Journal of Chemistry 71, № 8 (1993): 1123–27. http://dx.doi.org/10.1139/v93-148.

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Ab initio computational studies have been carried out for three molecules that are commonly classed as antiaromatic: cyclobutadiene (1), 1,3-diazacyclobutadiene (7), and 1,4-dihydropyrazine (6). Their dinitro and diamino derivatives were also investigated. Stabilizing or destabilizing energetic effects were quantified by means of the isodesmic reaction procedure at the MP2/6-31G*//HF/3-21G level, and calculated molecular electrostatic potentials (HF/STO-5G//HF/3-21G) were used as a probe of electron delocalization. Our results do not show extensive delocalization in the π systems of any one of
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Asai, Kengo, Aiko Fukazawa та Shigehiro Yamaguchi. "A cyclic octithiophene containing β,β′-linkages". Chemical Communications 51, № 28 (2015): 6096–99. http://dx.doi.org/10.1039/c5cc00570a.

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Corzo, H. H., H. G. Laguna, and R. P. Sagar. "Localization–delocalization phenomena in a cyclic box." Journal of Mathematical Chemistry 50, no. 1 (2011): 233–48. http://dx.doi.org/10.1007/s10910-011-9908-2.

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Song, Suhwan, Minwoo Han, and Eunji Sim. "Computation of Electron Delocalization for Extended Cyclic Conjugated Molecules." Australian Journal of Chemistry 69, no. 9 (2016): 999. http://dx.doi.org/10.1071/ch16183.

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Cyclic conjugated molecules have relatively planar conformations due to overlap of adjacent π-orbitals of delocalized electrons and which is strongly correlated with the degree of electron delocalization. We first demonstrate the quantitative relationship between structural heterogeneity and two structural parameters: out-of-plane distances of atoms and torsional angles between neighbouring aromatic moieties. The molecular characteristic-dependent trend of planarity is presented in terms of these two parameters for the number of unit moieties, type and distribution of linkers, and substituting
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Arrieta, Ana, Abel de Cozar, and Fernando P. Cossio. "ChemInform Abstract: Cyclic Electron Delocalization in Pericyclic Reactions." ChemInform 43, no. 14 (2012): no. http://dx.doi.org/10.1002/chin.201214244.

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Jefferson, E. A., A. J. Kresge та S. W. Paine. "Acid-catalyzed hydrolysis of 4-diazo-3-isochromanone: the effect of coplanarity on the carbon protonation of α-phenyl-α-carbonyldiazo compounds". Canadian Journal of Chemistry 74, № 7 (1996): 1369–72. http://dx.doi.org/10.1139/v96-154.

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Hydrolysis of the cyclic α-phenyl-α-carbonyl-diazo compound, 4-diazo-3-isochromanone, in dilute aqueous perchloric acid solutions was found to give the hydronium ion isotope effect [Formula: see text] which shows that this reaction occurs by rate-determining hydronation of the substrate on the carbon atom α to its diazo group. Comparison of the rate constant obtained, [Formula: see text] with that for the corresponding acyclic analog, methyl phenyldiazoacetate, indicates that the cyclic compound is 57 times less reactive. Semi-empirical AM1 molecular orbital calculations suggest that this diff
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Dissertations / Theses on the topic "Cyclic delocalization"

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Motti, Maria Letizia. "A novel mechanism of inactivation of cycline-dependent kinase inhibitor p27Kip1 in thyroid cancer: cytoplasmic delocalization induced by the protein kinase Akt." Tesi di dottorato, 2006. http://www.fedoa.unina.it/750/1/TESI_Motti.pdf.

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Esistono considerevoli evidenze a proposito del fatto che l’inattivazione dell’inibitore delle chinasi ciclino-dipendenti p27 rappresenti un evento fondamentale nello sviluppo dei tumori umani. L’inattivazione di p27 nei tumori umani avviene sia mediante la perdita di espressione sia mediante sequestro citoplasmatico della proteina. Il lavoro da me svolto durante la tesi di dottorato ha contribuito ad una migliore comprensione delle alterazioni della funzione di p27 nel cancro della tiroide (e della mammella) ed all’identificazione dei diversi meccanismi che contribuiscono a tale alterazione
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Book chapters on the topic "Cyclic delocalization"

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Bansal, Anshul. "Structure and Bonding." In Basics of Organic Chemistry: A Textbook for Undergraduate Students. BENTHAM SCIENCE PUBLISHERS, 2024. http://dx.doi.org/10.2174/9789815223224124010003.

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This chapter delves into the foundational concepts of chemical structure and bonding, essential for understanding molecular interactions and properties. The chapter begins with hybridization, exploring how atomic orbitals combine to form hybrid orbitals, influencing molecular geometry and bonding properties. Bond length and bond angles are analyzed, providing insight into the spatial arrangements and distances between atoms in molecules, which are crucial for predicting molecular shape and reactivity. The concept of bond energy is introduced, highlighting the energy changes associated with bon
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Martucci, Olimpia, Alessia Acampora, Gabriella Arcese, and Stefano Poponi. "The Development of Smart Tourism Destinations Through the Integration of ICT Innovations in SMEs of the Commercial Sector." In Handbook of Research on Smart Territories and Entrepreneurial Ecosystems for Social Innovation and Sustainable Growth. IGI Global, 2020. http://dx.doi.org/10.4018/978-1-7998-2097-0.ch008.

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The small and medium-size business activities (SMEs), coming from different commercial sectors, are generally found in Italian small towns and municipalities. Recently, SMEs are characterized by negative economic cycles. Factors negatively affecting commercial and tourism activities are historical centers' de-population phenomena, productive delocalization, business transfer, and changes in service delivery processes and logistics. To overcome these negativities the promotion of cultural assets, the use of new technologies for economic development, co-operation through networks and clusters, a
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Conference papers on the topic "Cyclic delocalization"

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Rodriguez, Andres M., and Jeffrey L. Kauffman. "A computational study of vibration delocalization in cyclic structures using adaptive stiffness elements." In Active and Passive Smart Structures and Integrated Systems XIII, edited by Alper Erturk. SPIE, 2019. http://dx.doi.org/10.1117/12.2514395.

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Solin, Jussi, Jouni Alhainen, Esko Arilahti, Tommi Seppänen, and Wolfgang Mayinger. "Fatigue of NPP Components Simulated by Non-Uniformly Strained Stainless Steel Specimens." In ASME 2019 Pressure Vessels & Piping Conference. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/pvp2019-93833.

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Abstract Comprehensive experimental research on fatigue performance of niobium stabilized (type 347) steel has revealed beneficial effects of hot holds aimed to simulate normal operation of NPP between the fatigue relevant transients. Reduction of plastic strain, extension of life and increase of endurance limit has been demonstrated in strain controlled HCF tests. Our latest results indicate moderate, but still measurable ‘hold effects’ even without any stop of straining and loading, when blocks of low rate cycles are applied between normal frequency straining at constant 325°C. A new lab tes
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