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Journal articles on the topic 'Modeling of medium-sized rings'

Author: Grafiati

Published: 4 June 2021

Last updated: 1 February 2022

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1

RADEMACHER, P. "ChemInform Abstract: Transannular Interactions in Difunctional Medium Rings. Modeling of Bimolecular Reactions." ChemInform 26, no. 43 (2010): no. http://dx.doi.org/10.1002/chin.199543314.

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2

Nguyen, Trung Dac, Miguel Fuentes-Cabrera, Jason D. Fowlkes, et al. "Competition between Collapse and Breakup in Nanometer-Sized Thin Rings Using Molecular Dynamics and Continuum Modeling." Langmuir 28, no. 39 (2012): 13960–67. http://dx.doi.org/10.1021/la303093f.

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3

Doddipatla, Srinivas, Galiya R. Galimova, Hongji Wei, et al. "Low-temperature gas-phase formation of indene in the interstellar medium." Science Advances 7, no. 1 (2021): eabd4044. http://dx.doi.org/10.1126/sciadv.abd4044.

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Polycyclic aromatic hydrocarbons (PAHs) are fundamental molecular building blocks of fullerenes and carbonaceous nanostructures in the interstellar medium and in combustion systems. However, an understanding of the formation of aromatic molecules carrying five-membered rings—the essential building block of nonplanar PAHs—is still in its infancy. Exploiting crossed molecular beam experiments augmented by electronic structure calculations and astrochemical modeling, we reveal an unusual pathway leading to the formation of indene (C9H8)—the prototype aromatic molecule with a five-membered ring—vi

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4

Blasiak, Slawomir. "Numerical modeling and analysis of the noncontacting impulse gas face seals." Proceedings of the Institution of Mechanical Engineers, Part J: Journal of Engineering Tribology 233, no. 8 (2018): 1139–53. http://dx.doi.org/10.1177/1350650118817188.

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Noncontacting mechanical seals with various kinds of face surface modifications have established their position in the sealing technique. Over the last few years, a lot of works dedicated to the impact of various surface modifications on the dynamics of working rings have been created. This paper presents model studies regarding relatively unknown noncontacting impulse gas face seals. Here, a mathematical model of impulse gas face seals is developed including the nonlinear Reynolds equation and stator dynamics equations, which were solved simultaneously using numerical methods. An original com

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5

NEAGU, ADRIAN, IOAN KOSZTIN, KAROLY JAKAB, et al. "COMPUTATIONAL MODELING OF TISSUE SELF-ASSEMBLY." Modern Physics Letters B 20, no. 20 (2006): 1217–31. http://dx.doi.org/10.1142/s0217984906011724.

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As a theoretical framework for understanding the self-assembly of living cells into tissues, Steinberg proposed the differential adhesion hypothesis (DAH) according to which a specific cell type possesses a specific adhesion apparatus that combined with cell motility leads to cell assemblies of various cell types in the lowest adhesive energy state. Experimental and theoretical efforts of four decades turned the DAH into a fundamental principle of developmental biology that has been validated both in vitro and in vivo. Based on computational models of cell sorting, we have developed a DAH-base

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6

AL Garalleh, Hakim, and Ali Algarni. "Modelling of Paclitaxel Conjugated with Carbon Nanotubes as an Antitumor Agent for Cancer Therapy." Journal of Biomedical Nanotechnology 16, no. 2 (2020): 224–34. http://dx.doi.org/10.1166/jbn.2020.2886.

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Functionalized carbon nanoparticles (CNPs) show great promise for various drug delivery applications. These CNPs have distinct physical and chemical properties, such as low solubility, very high conductivity, and drug loading capability, and are thus important nanodevices for cancer therapy. Cancer is a highly challenging disease, because its therapy involves distinguishing diseased cells from healthy ones. This study aimed to determine the ability of CNPs conjugated with a chemotherapeutic agent to inhibit cancer cell growth. We developed two models to determine the effectiveness of paclitaxe

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7

KASYANOV, A. E., and ISMAIL KHEBA ISMAIL KHEBA. "INSTALLATION FOR PHYSICAL MODELING OF SALINE SOILS WASHING." Prirodoobustrojstvo, no. 2 (2021): 31–35. http://dx.doi.org/10.26897/1997-6011-2021-2-31-35.

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Gradients of salts concentrations of the soil solution, rinsing water pressures, filtration coefficients determine the flow intensity of the salt solutions in the aeration zone. There are known a lot of software for calculating the motion of salt solutions in the porous medium. To assess the accuracy of calculations of the salts movement in the soil, the data of gradient measurements are used. The implementation of the known methods of physical modeling on the soil monoliths mounted according to Astapov, lysimetric installations, in experimental leaching of saline soils in the field requires s

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8

Kupche, �. L., and �. Lukevits. "Conformational maps of medium-sized rings." Chemistry of Heterocyclic Compounds 24, no. 4 (1988): 449–64. http://dx.doi.org/10.1007/bf00478868.

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9

Yet, Larry. "Metal-Mediated Synthesis of Medium-Sized Rings." Chemical Reviews 100, no. 8 (2000): 2963–3008. http://dx.doi.org/10.1021/cr990407q.

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10

Huang, Lin, Li-Xin Dai, and Shu-Li You. "Enantioselective Synthesis of Indole-Annulated Medium-Sized Rings." Journal of the American Chemical Society 138, no. 18 (2016): 5793–96. http://dx.doi.org/10.1021/jacs.6b02678.

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11

Boukari, Hacène, and Dan L. Sackett. "Tubulin Nanorings." MRS Advances 1, no. 8 (2016): 553–58. http://dx.doi.org/10.1557/adv.2016.79.

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ABSTRACTBiological systems routinely produce nanoscopic molecular structures with considerably less dispersion in size and shape than encountered in most manufactured materials. Indeed, Biological structures are frequently and essentially monodisperse. An example of this uniformity, combined with an intriguing geometry, is the nanometer-scale protein nanorings produced by interaction of the protein tubulin with certain hydrophobic tri-, tetra- and pentapeptides originally extracted as natural products from marine biosystems. Different peptides produce different sized nanorings, but we focus on

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12

Clarke, Aimee K., and William P. Unsworth. "A happy medium: the synthesis of medicinally important medium-sized rings via ring expansion." Chemical Science 11, no. 11 (2020): 2876–81. http://dx.doi.org/10.1039/d0sc00568a.

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13

Bowers, David J., Brian D. Wright, Vincenzo Scionti, et al. "Structure and Conformation of the Medium-Sized Chlorophosphazene Rings." Inorganic Chemistry 53, no. 17 (2014): 8874–86. http://dx.doi.org/10.1021/ic500272b.

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14

Abdelraheem, Eman M. M., Rudrakshula Madhavachary, Arianna Rossetti, et al. "Ugi Multicomponent Reaction Based Synthesis of Medium-Sized Rings." Organic Letters 19, no. 22 (2017): 6176–79. http://dx.doi.org/10.1021/acs.orglett.7b03094.

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15

Yet, Larry. "Free radicals in the synthesis of medium-sized rings." Tetrahedron 55, no. 31 (1999): 9349–403. http://dx.doi.org/10.1016/s0040-4020(99)00483-4.

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16

Roxburgh, Craig J. "Syntheses of medium sized rings by ring expansion reactions." Tetrahedron 49, no. 47 (1993): 10749–84. http://dx.doi.org/10.1016/s0040-4020(01)80232-5.

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17

Barabé, Francis, Geneviève Bétournay, Gabriel Bellavance, and Louis Barriault. "Gold-Catalyzed Synthesis of Carbon-Bridged Medium-Sized Rings." Organic Letters 11, no. 18 (2009): 4236–38. http://dx.doi.org/10.1021/ol901722q.

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18

West, F. G., T. H. Eberlein, and Richland W. Tester. "O-Bridged medium sized rings via bicyclic oxonium ylides." Journal of the Chemical Society, Perkin Transactions 1, no. 23 (1993): 2857. http://dx.doi.org/10.1039/p19930002857.

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19

Yet, Larry. "ChemInform Abstract: Metal-Mediated Synthesis of Medium-Sized Rings." ChemInform 31, no. 43 (2000): no. http://dx.doi.org/10.1002/chin.200043276.

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20

Hildebrandt, Dirk, Wiebke Hüggenberg, Matthias Kanthak, Tobias Plöger, Iris M. Müller, and Gerald Dyker. "A platinum-catalyzed annulation reaction leading to medium-sized rings." Chem. Commun., no. 21 (2006): 2260–61. http://dx.doi.org/10.1039/b602498j.

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21

Bulbovich, Roman, Aleksey Oznobishin, and Elena Rogozhikova. "NUMERICAL AND EXPERIMENTAL STUDY OF MULTILAYERED CYLINDRICAL BODIES WITH LOCAL BUNDLES." Perm National Research Polytechnic University Aerospace Engineering Bulletin, no. 63 (2020): 40–52. http://dx.doi.org/10.15593/2224-9982/2020.63.05.

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A numerical and experimental study of the regularities of the influence of the most likely defects such as local bundles inside multilayer cylindrical large-sized housings on the deformation and strength characteristics of the housings near their end connection is carried out. A statistical analysis of discontinuities in the manufacture of holes for pin-pin connection at the front and rear junctions of the joint is carried out. To form a sample, the results of accompanying passports of more than 200 build-ings were processed. Based on the results of ultrasonic flaw detection, the areas of disc

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22

Osipyan, Angelina, Alexander Sapegin, Alexander S. Novikov, and Mikhail Krasavin. "Rare Medium-Sized Rings Prepared via Hydrolytic Imidazoline Ring Expansion (HIRE)." Journal of Organic Chemistry 83, no. 17 (2018): 9707–17. http://dx.doi.org/10.1021/acs.joc.8b01210.

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23

Krafft, Marie E., Y. Y. Cheung, Sean A. Kerrigan, and Khalil A. Abboud. "Synthesis of ‘inside–outside’ medium-sized rings via ring-closing metathesis." Tetrahedron Letters 44, no. 4 (2003): 839–43. http://dx.doi.org/10.1016/s0040-4039(02)02639-4.

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24

Krafft, Marie E., Zice Fu, and Llorente Vicente R. Boñaga. "Synthesis of medium-sized rings using the intramolecular Pauson–Khand reaction." Tetrahedron Letters 42, no. 8 (2001): 1427–31. http://dx.doi.org/10.1016/s0040-4039(00)02299-1.

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25

Wang, Min-Shou, Zheng Wang, Wen Chen, Xiaodong Yang, and Hongbin Zhang. "Synthesis of Oxa-Bridged Medium-Sized Carbocyclic Rings via Prins Cyclization." Organic Letters 21, no. 6 (2019): 1881–84. http://dx.doi.org/10.1021/acs.orglett.9b00491.

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26

Maier, Martin E. "Synthesis of Medium-Sized Rings by the Ring-Closing Metathesis Reaction." Angewandte Chemie International Edition 39, no. 12 (2000): 2073–77. http://dx.doi.org/10.1002/1521-3773(20000616)39:12<2073::aid-anie2073>3.0.co;2-0.

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27

D'YAKOV, V. M., and A. F. MAKAROV. "ChemInform Abstract: Medium-Sized Silicon Rings. Part 4. Silocane - Silatrane Conversions." ChemInform 25, no. 11 (2010): no. http://dx.doi.org/10.1002/chin.199411212.

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28

WEST, F. G., T. H. EBERLEIN, and R. W. TESTER. "ChemInform Abstract: O-Bridged Medium Sized Rings via Bicyclic Oxonium Ylides." ChemInform 25, no. 12 (2010): no. http://dx.doi.org/10.1002/chin.199412089.

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29

ROXBURGH, C. J. "ChemInform Abstract: Syntheses of Medium Sized Rings by Ring Expansion Reactions." ChemInform 25, no. 8 (2010): no. http://dx.doi.org/10.1002/chin.199408319.

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30

Yet, Larry. "ChemInform Abstract: Free Radicals in the Synthesis of Medium-Sized Rings." ChemInform 30, no. 44 (2010): no. http://dx.doi.org/10.1002/chin.199944339.

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31

Hussain, Altaf, S. K. Yousuf, and Debaraj Mukherjee. "Importance and synthesis of benzannulated medium-sized and macrocyclic rings (BMRs)." RSC Adv. 4, no. 81 (2014): 43241–57. http://dx.doi.org/10.1039/c4ra07434c.

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Cyclic molecular frameworks, especially the benzannulated medium-sized and macrocyclic ring (BMR) systems, constitute an integral component of a large number of biologically significant natural or synthetic molecules.

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32

Semenov, D., C. Favre, D. Fedele, et al. "Chemistry in disks." Astronomy & Astrophysics 617 (September 2018): A28. http://dx.doi.org/10.1051/0004-6361/201832980.

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Context. Several sulfur-bearing molecules are observed in the interstellar medium and in comets, in strong contrast to protoplanetary disks where only CS, H2CS, and SO have been detected so far. Aims. We combine observations and chemical models to constrain the sulfur abundances and their sensitivity to physical and chemical conditions in the DM Tau protoplanetary disk. Methods. We obtained 0.5′′ Atacama Large Millimeter Array observations of DM Tau in Bands 4 and 6 in lines of CS, SO, SO2, OCS, CCS, H2CS, and H2S, achieving a ~5 mJy sensitivity. Using the non-Local Thermodynamical Equilibrium

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33

Nowak, M., S. Lacour, P. Mollière та ін. "Peering into the formation history of β Pictoris b with VLTI/GRAVITY long-baseline interferometry". Astronomy & Astrophysics 633 (січень 2020): A110. http://dx.doi.org/10.1051/0004-6361/201936898.

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Context. β Pictoris is arguably one of the most studied stellar systems outside of our own. Some 30 yr of observations have revealed a highly-structured circumstellar disk, with rings, belts, and a giant planet: β Pictoris b. However very little is known about how this system came into being. Aims. Our objective is to estimate the C/O ratio in the atmosphere of β Pictoris b and obtain an estimate of the dynamical mass of the planet, as well as to refine its orbital parameters using high-precision astrometry. Methods. We used the GRAVITY instrument with the four 8.2 m telescopes of the Very Lar

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34

Deguchi, Masato, Akitoshi Fujiya, Eiji Yamaguchi, Norihiro Tada, Bunji Uno, and Akichika Itoh. "Organic dye-catalyzed radical ring expansion reaction." RSC Advances 8, no. 28 (2018): 15825–30. http://dx.doi.org/10.1039/c8ra02383b.

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35

Ruder, Suzanne M., and Bradley K. Norwood. "Cycloaddition of enamines with alkynylphosphonates. A route to functionalized medium sized rings." Tetrahedron Letters 35, no. 21 (1994): 3473–76. http://dx.doi.org/10.1016/s0040-4039(00)73213-8.

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36

Burevschi, Ecaterina, Isabel Peña, and M. Eugenia Sanz. "Medium-sized rings: conformational preferences in cyclooctanone driven by transannular repulsive interactions." Physical Chemistry Chemical Physics 21, no. 8 (2019): 4331–38. http://dx.doi.org/10.1039/c8cp07322h.

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Three conformers of cyclooctanone have been identified by broadband rotational spectroscopy. Cyclooctanone shows a strong preference to adopt a boat-chair conformation, driven by minimisation of repulsive non-bonded transannular interactions.

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37

Westwood, Nicholas, Gu Liu, Christopher Lancefield, Magali Lorion, and Alexandra Slawin. "Synthesis and Oxidative Cleavage of Oxazinocarbazoles: Atropselective Access to Medium-Sized Rings." Synthesis 46, no. 20 (2014): 2808–14. http://dx.doi.org/10.1055/s-0034-1378530.

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38

LERMAN, B. M. "ChemInform Abstract: Skeleton Rearrangements of Bridged Polycyclic Compounds Having Medium- Sized Rings." ChemInform 22, no. 34 (2010): no. http://dx.doi.org/10.1002/chin.199134290.

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39

Whitaker, Daniel, María Batuecas, Paolo Ricci, and Igor Larrosa. "A Direct Arylation-Cyclisation Reaction for the Construction of Medium-Sized Rings." Chemistry - A European Journal 23, no. 52 (2017): 12763–66. http://dx.doi.org/10.1002/chem.201703527.

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40

Donald, James R., and William P. Unsworth. "Ring-Expansion Reactions in the Synthesis of Macrocycles and Medium-Sized Rings." Chemistry - A European Journal 23, no. 37 (2017): 8780–99. http://dx.doi.org/10.1002/chem.201700467.

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41

Watson, Iain D. G., Stefanie Ritter, and F. Dean Toste. "Asymmetric Synthesis of Medium-Sized Rings by Intramolecular Au(I)-Catalyzed Cyclopropanation." Journal of the American Chemical Society 131, no. 6 (2009): 2056–57. http://dx.doi.org/10.1021/ja8085005.

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42

Lovely, Carl J., Hemalatha Seshadri, Brian R. Wayland, and A. Wallace Cordes. "Synthesis of Bridged Medium-Sized Rings through the Intramolecular Pauson−Khand Reaction." Organic Letters 3, no. 16 (2001): 2607–10. http://dx.doi.org/10.1021/ol016308s.

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43

Ghosh, Arun, Anthony Tomaine, and Kelsey Cantwell. "Lewis Acid Mediated Cyclizations: Diastereoselective Synthesis of Six- to Eight-Membered Substituted Cyclic Ethers." Synthesis 49, no. 18 (2017): 4229–46. http://dx.doi.org/10.1055/s-0036-1589054.

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Cyclic ethers are widely abundant in natural products. Cyclic ether templates are also utilized in drug design and medicinal chemistry. Although the synthetic processes for this class of compounds have been studied extensively with respect to five- and six-membered rings, medium-sized cyclic ethers are synthetically more challenging due to a variety of factors. Herein, we report our results on the Lewis acid catalyzed synthesis of medium-sized cyclic ethers in a diastereoselective manner.

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44

Rademacher, P. "Transannular interactions in difunctional medium rings ? modelling bimolecular reactions." Chemical Society Reviews 24, no. 2 (1995): 143. http://dx.doi.org/10.1039/cs9952400143.

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45

Abramovitch, Rudolph A., Joseph Miller, and Antonio J. C. de Souza. "The formation of medium-sized rings by the intramolecular cyclization of arylnitrenium ions." Tetrahedron Letters 44, no. 36 (2003): 6965–67. http://dx.doi.org/10.1016/s0040-4039(03)01591-0.

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46

Maier, Martin E. "ChemInform Abstract: Synthesis of Medium-Sized Rings by the Ring-Closing Metathesis Reaction." ChemInform 31, no. 37 (2000): no. http://dx.doi.org/10.1002/chin.200037277.

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47

Hussain, Altaf, S. K. Yousuf, and Debaraj Mukherjee. "ChemInform Abstract: Importance and Synthesis of Benzannulated Medium-Sized and Macrocyclic Rings (BMRs)." ChemInform 45, no. 51 (2014): no. http://dx.doi.org/10.1002/chin.201451250.

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48

Paquette, Leo A., Timothy J. Watson, and Dirk Friedrich. "Multiple functionalization of medium-sized carbocyclic rings. From cyclooctanone to a 1,5-dialkoxycyclooctatetraene." Journal of Organic Chemistry 58, no. 3 (1993): 776–78. http://dx.doi.org/10.1021/jo00055a042.

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49

Krafft, Marie E., Zice Fu, and Llorente Vicente R. Bonaga. "ChemInform Abstract: Synthesis of Medium-Sized Rings Using the Intramolecular Pauson-Khand Reaction." ChemInform 32, no. 21 (2010): no. http://dx.doi.org/10.1002/chin.200121150.

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50

Ерыганов, Алексей Валериевич, Роман Анатольевич Варбанец та Владислав Олегович Маулевич. "ВЛИЯНИЕ ПРОТЕЧЕК РАБОЧЕГО ТЕЛА НА КООРДИНАТУ ТОЧКИ МАКСИМАЛЬНОГО РОСТА ДАВЛЕНИЯ СЖАТИЯ". Aerospace technic and technology, № 1 (7 березня 2019): 59–64. http://dx.doi.org/10.32620/aktt.2019.1.07.

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The article discusses the analysis of the parameters of the compression process, which is carried out according to the results of engine indication. The solution to this problem allows us to evaluate the technical condition of the cylinder-piston group parts. According to the requirements of most classification societies, the deviation of the compression pressure on this cylinder from the engine average should not exceed 2.5%. The dependence of the compression pressure value on the pressure of the supercharger makes it difficult to obtain correct diagnostic conclusions about the condition of t

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