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Relevant bibliographies by topics / Molecular structure

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Academic literature on the topic 'Molecular structure'

Author: Grafiati

Published: 4 June 2021

Last updated: 29 July 2024

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Journal articles on the topic "Molecular structure"

1

Osadchuk, T. V., O. V. Shybyryn, and V. K. Kibirev. "Chemical structure and properties of low-molecular furin inhibitors." Ukrainian Biochemical Journal 88, no. 6 (December 14, 2016): 5–25. http://dx.doi.org/10.15407/ubj88.06.005.

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Purser, Gordon H. "Lewis Structures Are Models for Predicting Molecular Structure, Not Electronic Structure." Journal of Chemical Education 76, no. 7 (July 1999): 1013. http://dx.doi.org/10.1021/ed076p1013.

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Habermehl, G. "Molecular Structure Description." Toxicon 39, no. 5 (May 2001): 733. http://dx.doi.org/10.1016/s0041-0101(00)00178-1.

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Allinger, Norman L. "Understanding molecular structure from molecular mechanics." Journal of Computer-Aided Molecular Design 25, no. 4 (April 2011): 295–316. http://dx.doi.org/10.1007/s10822-011-9422-4.

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Tashkhodzhaev, B., and A. I. Saidkhodzhaev. "Molecular Structure of γ-Apienes. Crystal and Molecular Structure of Ferocin." Chemistry of Natural Compounds 41, no. 2 (March 2005): 153–57. http://dx.doi.org/10.1007/s10600-005-0100-4.

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Takada, Akira, Kathryn J. Glaser, Robert G. Bell, and C. Richard A. Catlow. "Molecular dynamics study of tridymite." IUCrJ 5, no. 3 (April 17, 2018): 325–34. http://dx.doi.org/10.1107/s2052252518004803.

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Structural changes in tridymite have been investigated by molecular dynamics simulation. Two thermal processes were carried out, one cooling from the high-temperature hexagonal structure of tridymite (HP-tridymite) and the other heating from the low-temperature monoclinic structure of tridymite (MX1-tridymite). The former process showed that HP, LHP (low-temperature hexagonal structure), OC (orthorhombic structure withC2221symmetry) and OP (orthorhombic structure withP212121symmetry)-like structures appeared in sequence. In contrast, the latter process showed that MX1, OP, OC, LHP and HP-like structures appeared in sequence. Detailed analysis of the calculated structures showed that the configuration underwent stepwise changes associated with several characteristic modes. First, the structure of HP-tridymite determined from diffraction experiments was identified as a time-averaged structure in a similar manner to β-cristobalite, thus indicating the important role of floppy modes of oxygen atoms at high temperature – one of the common features observed in silica crystals and glass. Secondly, the main structural changes were ascribed to a combination of distortion of the six-membered rings in the layers and misalignment between layers. We suggest that the slowing down of floppy oxygen movement invokes the multistage emergence of structures with lower symmetry on cooling. This study therefore not only reproduces the sequence of the main polymorphic transitions in tridymite, except for the appearance of the monoclinic phase, but also explains the microscopic dynamic structural changes in detail.

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Boeyens, Jan C. A. "A Molecular–Structure Hypothesis." International Journal of Molecular Sciences 11, no. 11 (November 1, 2010): 4267–84. http://dx.doi.org/10.3390/ijms11114267.

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Riddiough, G. "MOLECULAR BIOLOGY: Chromosome Structure." Science 305, no. 5684 (July 30, 2004): 575b. http://dx.doi.org/10.1126/science.305.5684.575b.

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Horiuchi, H. "Molecular structure of nuclei." European Physical Journal A 15, no. 1-2 (September 2002): 131–33. http://dx.doi.org/10.1140/epja/i2001-10240-x.

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Puzzarini, Cristina. "Molecular Structure of Thiourea." Journal of Physical Chemistry A 116, no. 17 (April 19, 2012): 4381–87. http://dx.doi.org/10.1021/jp301493b.

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Dissertations / Theses on the topic "Molecular structure"

1

Pounds, Andrew J. "A generalized discrete dynamical search method for locating minimum energy molecular geometries." Diss., Georgia Institute of Technology, 1994. http://hdl.handle.net/1853/27144.

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O'Dubhthaigh-Orgel, Joseph Patrick Rosen. "The molecular structure of collagen." Thesis, University of Stirling, 2000. http://hdl.handle.net/1893/1968.

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This thesis describes the study of the molecular packing and organisation of collagen molecules within a fibril. The first two chapters describe the background to the study. In Chapter 1, a review of the extracellular matrix concentrates on the structure and organisation of type I collagen. Chapter 2 summarises the theory of X-ray diffraction by fibres, and Chapter 3 describes X-ray sources and equipment used in data collection. Data treatments and data extraction methods (such as simulated annealing) are also discussed. Chapters4 and 5 present the results of the study. Chapter 4 describes the determination of the one-dimensional structure of type I collagen to 0.54 nm resolution using X-ray diffraction and isomorphous derivative phase determination. The significance of the electron density map is interpreted in light of the known amino acid sequence, showing possible variations in the nature of the helix pitch. More importantly, the conformations of the intermolecular crosslink forming non-helical telopeptides were determined. Chapter 5 provides a detailed background to the current understanding of the three dimensional packing structure of collagen, and presents the first model-independent phase determined structure of a natural fibre - the lateral packing structure of type I collagen in rat tail tendon. The data extraction methods described in Chapter 3 are employed to calculate an electron density map of anisotropic resolution, from which the 4 crosslink forming telopeptide segments within the quasi-hexagonal packing structure are identified. Conclusions are drawn concerning the nature of order/disorder within collagen fibrils and the validity of the compressed microfibril model of collagen molecular packing and organisation is discussed. Chapter 6 summaries the results and evaluates the success of the study. The potential for development of the techniques and results found for further studies are also discussed.

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Forsyth, G. A. "Molecular structure by diffraction methods." Thesis, University of Reading, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.384586.

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Santos, Flavio Bezerra dos. "Molecular structure and liquid crystallinity." Thesis, University of Southampton, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.243176.

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Rowles, Jonathan Henry. "The structure of molecular clouds." Thesis, University of Kent, 2011. https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.544095.

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Vaitheeswaran, Subramanian. "Computer Simulations of Partially Confined Water." Fogler Library, University of Maine, 2004. http://www.library.umaine.edu/theses/pdf/VaitheeswaranS2004.pdf.

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Jarvis, Vern Marshall. "Studies of molecular cluster ions." Diss., Georgia Institute of Technology, 1994. http://hdl.handle.net/1853/30074.

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Ahmed, Syed Muzaffor. "Molecular Shock Structure in Multifluid MagnetohydrodynamicS." Thesis, University of Leeds, 2007. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.486150.

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We present an investigation on the effects of magnetic dissipation and cooling due to spontaneous radiative emission in multifluid magnetohydrodynamic (MHD) shocks. Ideal MHD allows n small amplitude waves and therefore we can associate a shock with each. But, only non-linear fast and slow shocks are evolutionary. On smaller scales the structure ofshocks is determined by the non-ideal MHD equations and from neutral cooling. Therefore in a dense weakly ionised medium there exist three generic types of shock; C-type, J-type and C*-type. The shooting method can be used to calculate simple steady solutions, with constant ambipolar resistivity and radiative cooling. In this approach only coplanar transverse fields can vary i.e., these shocks are coplanar. But, this method is restricted to C-type non-reacting fluidÃ‚Â· shocks, since J-type and C*-type contain a point of singularity in the transonic phase. For time dependent equations an upwind conservative scheme (Godunov's scheme) in one dimension is used. This method is less restricted; we have shown that it is extremely accurate in second order and that we call also capture all three generic interstellar shocks successfully. For completeness we : give expressions for the sources of mass, momentum and energy in a five fluid reacting model. We show that studies in zero dimensions can be used to reveal important shock structure parameter.s. Five fluid MHD shocks show that ionisation, recombination and . grain dynamics can have profound effects on the structure. Firstly we show that slow shock length scales are significantly enhanced and that cooling from molecular rotational and atomic fine structure lines contributes significantly in fast shocks. Thus the structure of the weakest and strongest shocks are characteristically adiabatic and characteristically finite cooling respectively. Conditions are such that both ambipolar resistivity and Hall resistivity can dominate, hence the waves are characteristically dissipative and dispersive, but, only in the fast regime a significant non-coplanar transverse field is induced. In slow shocks grain fluids are decoupled from the field, but in the fast regime they can reconnectÃ‚Â· with the field and this is also dependent on their dimensions. We predict that slow shocks are generally C*-type, and that such shocks are more likely to be responsible for the: condensation of dense cores and therefore the formation of protostellar objects and stars.

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Legha, Prem, University of Western Sydney, of Science Technology and Environment College, and of Science Food and Horticulture School. "Molecular structure and odor mixture perception." THESIS_CSTE_SFH_Legha_P.xml, 2004. http://handle.uws.edu.au:8081/1959.7/549.

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The sense of smell is a primal sense for humans as well as animals.In everyday life the smells encountered are composed of dozens, even hundreds of odors; few arise from a single odorant. Enormous numbers of odors occur due to the vast variation in the concentration, size and structure of odorant molecules that makes olfaction differ from simpler visual or auditory dimensions. Accordingly, little is known about the ways in which changes in molecular structure and concentration of individual odorants change odor quality. Also, currently not much is understood about synergism/antagonism, how one odorant masks or suppresses another in mixtures and there is no method for predicting which odor will be suppressed. The two main objectives of this thesis were to determine whether a part of a molecular structure rather than the whole structure plays a key role in odor quality and whether a key part of a molecule can be used to choose antagonists for that odorant. For this study three classes of musks and two potential antagonists were used. The results of the study are discussed in some detail. It is concluded that future studies of the importance of molecular structure in mixture interactions require substantially more information on the relation between structure and odor quality to allow systematic studies to be developed. In summary the two hypotheses investigated were not supported by the results. Importantly, however, they do support the view that it is likely that odor quality is dependent on the whole structure of an odorant not a single feature.
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Hellier, P. R. "The molecular structure of future fuels." Thesis, University College London (University of London), 2013. http://discovery.ucl.ac.uk/1387437/.

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Future fuels will be developed from a variety of biomass and fossil sources, and must seek to address the adverse environmental impacts of current fossil fuel usage. To this end, understanding how the molecular structure of a fuel impacts on the processes of combustion and emissions production is critical in selecting suitable feed-stocks and conversion methods. This work presents experimental studies carried out on a compression ignition engine equipped with a novel low volume fuel system. This system was designed and manufactured so as that several series of single-molecule fuels, and also binary fuel mixtures, could be tested to investigate the effect of fuel molecular structure on combustion and emissions. Features of fuel molecular structure that were studied include: alkyl chain length and degree of saturation, double bond position and isomerisation and the fatty acid ester alcohol moiety. The interactions between cyclic molecules and $n$-alkanes were also studied, as was the potential of carbonate esters and terpenes as future sustainable fuels; the latter produced from genetically modified micro-organisms. The engine tests were carried out at constant injection timing and they were repeated at constant ignition timing and at constant ignition delay, the latter being achieved through the addition to the various fuels of small quantities of ignition improver (2-ethylhexyl nitrate). In tests conducted at constant injection and constant ignition timing the ignition delay of the molecule was found to be the primary driver of combustion phasing, the balance between premixed and diffusion-controlled combustion and, thereby, exhaust emissions. The various features of molecular structure were found to influence the duration of ignition delay, and an effect of interactions of binary fuel mixtures was also visible. Physical properties, such as viscosity, impacted on the production of exhaust emissions, and in extreme cases also influenced combustion phasing and heat release.

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Books on the topic "Molecular structure"

1

Molecular spectra and molecular structure. 2nd ed. Malabar, Fla: R.E. Krieger Pub. Co., 1989.

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Allinger, Norman L. Molecular Structure. Hoboken, NJ, USA: John Wiley & Sons, Inc., 2010. http://dx.doi.org/10.1002/9780470608852.

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Rodger, Alison. Molecular geometry. Oxford: Butterworth-Heinemann, 1995.

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Carbó, Ramón, and Paul G. Mezey. Advances in molecular structure. Greenwich, Conn: JAI Press, 1996.

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Helgaker, Trygve, Poul Jørgensen, and Jeppe Olsen. Molecular Electronic-Structure Theory. Chichester, UK: John Wiley & Sons, Ltd, 2000. http://dx.doi.org/10.1002/9781119019572.

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6

Arthur, Greenberg, and Liebman Joel F, eds. Molecular structure and energetics. Deerfield Beach, Fla: VCH Publishers, 1986.

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Soriano, David. Introduction to molecular modeling. [Huntington], NY: Nova Science Publishers, 2002.

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1948-, Sen K. D., and Allan N. L, eds. Molecular similarity. Berlin: Springer-Verlag, 1995.

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Reichenbächer, Manfred, and Jürgen Popp. Challenges in Molecular Structure Determination. Berlin, Heidelberg: Springer Berlin Heidelberg, 2012. http://dx.doi.org/10.1007/978-3-642-24390-5.

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Stacy, Angelica M. Smells: Molecular structure and properites. Emeryville, CA: Key Curriculum Press, 2003.

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Book chapters on the topic "Molecular structure"

1

Teixeira-Dias, José J. C. "Molecular Structure." In Molecular Physical Chemistry, 243–85. Cham: Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-41093-7_5.

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Norman, Richard, and James M. Coxon. "Molecular structure." In Principles of Organic Synthesis, 20–51. Dordrecht: Springer Netherlands, 1993. http://dx.doi.org/10.1007/978-94-011-2166-8_2.

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Svanberg, Sune. "Molecular Structure." In Atomic and Molecular Spectroscopy, 31–40. Berlin, Heidelberg: Springer Berlin Heidelberg, 2001. http://dx.doi.org/10.1007/978-3-642-98107-4_3.

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Khristenko, Sergei V., Viatcheslav P. Shevelko, and Alexander I. Maslov. "Molecular Structure." In Molecules and Their Spectroscopic Properties, 1–19. Berlin, Heidelberg: Springer Berlin Heidelberg, 1998. http://dx.doi.org/10.1007/978-3-642-71946-2_1.

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Svanberg, Sune. "Molecular Structure." In Atomic and Molecular Spectroscopy, 31–40. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/978-3-642-18520-5_3.

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Desch, H. E., and J. M. Dinwoodie. "Molecular Structure." In Timber Structure, Properties, Conversion and Use, 37–43. London: Macmillan Education UK, 1996. http://dx.doi.org/10.1007/978-1-349-13427-4_4.

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Svanberg, Sune. "Molecular Structure." In Atomic and Molecular Spectroscopy, 29–36. Berlin, Heidelberg: Springer Berlin Heidelberg, 1992. http://dx.doi.org/10.1007/978-3-642-97398-7_3.

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Yarkony, David. "Molecular Structure." In Springer Handbook of Atomic, Molecular, and Optical Physics, 467–89. New York, NY: Springer New York, 2006. http://dx.doi.org/10.1007/978-0-387-26308-3_31.

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Veszprémi, Tamás, and Miklós Fehér. "Molecular Structure." In Quantum Chemistry, 207–17. Boston, MA: Springer US, 1999. http://dx.doi.org/10.1007/978-1-4615-4189-9_10.

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Weinacht, Thomas C., and Brett J. Pearson. "Molecular Structure." In Time-Resolved Spectroscopy, 11–40. Boca Raton : CRC Press, Taylor & Francis Group, 2019.: CRC Press, 2018. http://dx.doi.org/10.1201/9780429440823-2.

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Conference papers on the topic "Molecular structure"

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ADAMIAN, G. G., N. V. ANTONENKO, Z. GAGYI-PALFFY, S. P. IVANOVA, R. V. JOLOS, YU V. PALCHIKOV, W. SCHEID, T. M. SHNEIDMAN, and A. S. ZUBOV. "NUCLEAR MOLECULAR STRUCTURE." In Proceedings of the Predeal International Summer School in Nuclear Physics. WORLD SCIENTIFIC, 2007. http://dx.doi.org/10.1142/9789812770417_0026.

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Kanick, Stephen C. "Sub-diffuse structured light imaging provides macroscopic maps of microscopic tissue structure (Conference Presentation)." In Molecular-Guided Surgery: Molecules, Devices, and Applications II, edited by Brian W. Pogue and Sylvain Gioux. SPIE, 2016. http://dx.doi.org/10.1117/12.2209681.

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Frank, A., and R. Lemus. "Algebraic methods in molecular structure I: Triatomic molecules." In The XXX Latin American school of physics ELAF: Group theory and its applications. AIP, 1996. http://dx.doi.org/10.1063/1.50221.

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Lu, K. U. "Molecular structures derived from deterministic theory of atomic structure." In Physical orgin of homochirality in life. AIP, 1996. http://dx.doi.org/10.1063/1.51253.

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Sun, Wenhao, Jennifer van Wijngaarden, and Issiah Lozada. "THE MOLECULAR STRUCTURE OF MONOFLUOROBENZALDEHYDES." In 72nd International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2017. http://dx.doi.org/10.15278/isms.2017.tc04.

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Fullagar, Wilfred, Jens Uhlig, Niklas Gador, Kimmo Kinnuen, Ilari Maasilta, Claes-Göran Wahlström, Villy Sundström, et al. "Lab-based Ultrafast Molecular Structure." In SRI 2009, 10TH INTERNATIONAL CONFERENCE ON RADIATION INSTRUMENTATION. AIP, 2010. http://dx.doi.org/10.1063/1.3463366.

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Chen, Cheng Che, Jaswinder Pal Singh, and Russ B. Altman. "Parallel hierarchical molecular structure estimation." In the 1996 ACM/IEEE conference. New York, New York, USA: ACM Press, 1996. http://dx.doi.org/10.1145/369028.369031.

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Panin, S. V., L. A. Kornienko, T. Nguen Suan, L. P. Ivanova, M. A. Korchagin, M. V. Chaikina, S. V. Shilko, and Yu M. Pleskachevskiy. "Biocompatible composites of ultrahigh molecular weight polyethylene." In ADVANCED MATERIALS WITH HIERARCHICAL STRUCTURE FOR NEW TECHNOLOGIES AND RELIABLE STRUCTURES. AIP Publishing LLC, 2015. http://dx.doi.org/10.1063/1.4932864.

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Levin, J., L. Knoll, M. Lange, M. Scheffel, R. Wester, A. Wolf, D. Schwalm, et al. "Molecular structure by Coulomb explosion imaging of stored molecular ions." In Trapped charged particles and fundamental physics. AIP, 1999. http://dx.doi.org/10.1063/1.57458.

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Peña, Isabel, José Alonso, Carlos Cabezas, and Alcides Simao. "THE STRUCTURE OF PHENYLGLYCINOL." In 69th International Symposium on Molecular Spectroscopy. Urbana, Illinois: University of Illinois at Urbana-Champaign, 2014. http://dx.doi.org/10.15278/isms.2014.td07.

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Reports on the topic "Molecular structure"

1

Leonard, Joseph M. STICK: A Molecular Structure Display System. Fort Belvoir, VA: Defense Technical Information Center, May 1988. http://dx.doi.org/10.21236/ada199031.

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Scheuer, Paul J. Marine Biotoxins: Laboratory Culture and Molecular Structure. Fort Belvoir, VA: Defense Technical Information Center, October 1988. http://dx.doi.org/10.21236/ada202275.

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Johnson, P. M. Ionization probes of molecular structure and chemistry. Office of Scientific and Technical Information (OSTI), January 1993. http://dx.doi.org/10.2172/7030747.

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Scheuer, Paul J. Marine Biotoxins: Laboratory Culture and Molecular Structure. Fort Belvoir, VA: Defense Technical Information Center, January 1991. http://dx.doi.org/10.21236/ada235311.

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Langhoff, P. W., J. A. Boatz, R. J. Hinde, and J. A. Sheehy. Atomic Spectral Methods for Molecular Electronic Structure Calculations. Fort Belvoir, VA: Defense Technical Information Center, June 2004. http://dx.doi.org/10.21236/ada429238.

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Hagaman, E. (Molecular structure of coal and coal conversion processes). Office of Scientific and Technical Information (OSTI), November 1987. http://dx.doi.org/10.2172/7089731.

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Jarvie, T. P. Molecular structure and motion in zero field magnetic resonance. Office of Scientific and Technical Information (OSTI), October 1989. http://dx.doi.org/10.2172/7040223.

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Klein, Nathan. The Molecular Structure of the Han-Based Liquid Propellants. Fort Belvoir, VA: Defense Technical Information Center, August 1990. http://dx.doi.org/10.21236/ada226415.

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Huang, Z. Structural studies of molecular and metallic overlayers using angle- resolved photoemission extended fine structure. Office of Scientific and Technical Information (OSTI), October 1992. http://dx.doi.org/10.2172/6946944.

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Huang, Zhengqing. Structural studies of molecular and metallic overlayers using angle- resolved photoemission extended fine structure. Office of Scientific and Technical Information (OSTI), October 1992. http://dx.doi.org/10.2172/10110509.

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