Relevant bibliographies by topics / Visualisation of chemical structures

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Visualisation of chemical structures'

Author: Grafiati
Published: 4 June 2021
Last updated: 11 February 2022

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Journal articles on the topic "Visualisation of chemical structures"

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Soria, Julio, and Brian J. Cantwell. "Topological visualisation of focal structures in free shear flows." Applied Scientific Research 53, no. 3-4 (1994): 375–86. http://dx.doi.org/10.1007/bf00849111.

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Valera-Medina, A., N. Syred, and A. Griffiths. "Visualisation of isothermal large coherent structures in a swirl burner." Combustion and Flame 156, no. 9 (2009): 1723–34. http://dx.doi.org/10.1016/j.combustflame.2009.06.014.

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Moukarzel, Romy, Hayley J. Ridgway, Alexis Guerin-Laguette, and E. Eirian Jones. "An improved clearing and staining protocol for evaluation of arbuscular mycorrhizal colonisation in darkly pigmented woody roots." New Zealand Plant Protection 73 (November 15, 2020): 33–39. http://dx.doi.org/10.30843/nzpp.2020.73.11711.

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Arbuscular mycorrhizal fungi (AMF) establish symbiotic interactions with the roots of vascular plants, including grapevines. Verifying AMF colonisation routinely requires establishing the presence of hyphae, arbuscules and vesicles. Clearing roots with potassium hydroxide (KOH) followed by staining with trypan blue has been used previously to visualise fungal structures, however visualisation is difficult with darkly pigmented roots, such as those of grapevines so additional steps are required to ensure clear visualisation. Three fixing and clearing processes were evaluated prior to staining w
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Mučaji, P., and M. Nagy. "Contribution to the TLC separation of ursolic and oleanolic acid mixture." Acta Facultatis Pharmaceuticae Universitatis Comenianae 58, no. 1 (2011): 56–61. http://dx.doi.org/10.2478/v10219-011-0006-0.

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Contribution to the TLC separation of ursolic and oleanolic acid mixtureThe aim of the study was to develop a rapid, simple, effective and reproducible TLC method for separation of a naturally occurring mixture of ursolic and oleanolic acids. Because of the similarity of chemical structures,in situderivatisation by iodine was necessary to separate these triterpenic acids. Separation was achieved on silica gel plates. After derivatisation, a chromatographic plate was developed with the mobile phase consisting of light petrol, ethyl acetate and acetone (8.2:1.8:0.1, v/v/v) following visualisatio
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McCarthy, J. M., A. Deivasigamani, S. Watkins, S. J. John, F. Coman, and P. Petersen. "On the visualisation of flow structures downstream of fluttering piezoelectric energy harvesters in a tandem configuration." Experimental Thermal and Fluid Science 57 (September 2014): 407–19. http://dx.doi.org/10.1016/j.expthermflusci.2014.05.017.

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Dalacosta, Konstadina, and Evangelia A. Pavlatou. "Usability evaluation of 3-D visualisations augmented by cartoons for teaching solids and crystal structures in chemical engineering." New Trends and Issues Proceedings on Humanities and Social Sciences 5, no. 4 (2018): 83–89. http://dx.doi.org/10.18844/prosoc.v5i4.3707.

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In chemical engineering, undergraduate students often have to face the highly demanding process of understanding concepts from the microscopic level (e.g., ionic crystals such as zinc sulphide or covalent lattice crystals diamond, graphite, graphene etc.) and then explain with certain physical–chemical properties their macroscopic behaviour. Therefore, the main idea was to construct a specifically designed educational material that focusses on the benefits of viewing visualisations to enhance students’ conceptual understanding of solids and crystal structures augmented by cartoons, and evaluat
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Pavlin, Jerneja, Saša A. Glažar, Miha Slapničar, and Iztok Devetak. "The impact of students’ educational background, interest in learning, formal reasoning and visualisation abilities on gas context-based exercises achievements with submicro-animations." Chemistry Education Research and Practice 20, no. 3 (2019): 633–49. http://dx.doi.org/10.1039/c8rp00189h.

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The purpose of this paper is to explore and explain students’ achievements in solving context-based gas exercises comprising the macroscopic and submicroscopic levels of chemical concepts. The influence of specific variables, such as interest in learning, formal-reasoning abilities, and visualisation abilities, is a significant factor that should be considered when explaining students’ achievements with context-based exercises. Seventy-nine students of three age groups (12, 16, and 23) participated in the study. Questionnaires, tests, and a semi-structured interview including computer-displaye
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Aguilera, J. M. "Drying and Dried Products Under the Microscope." Food Science and Technology International 9, no. 3 (2003): 137–43. http://dx.doi.org/10.1177/1082013203034640.

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Food engineers do not often realise that drying of foods and biological materials is a problem of preserving or transforming structures rather than one of removing water. Some unique product properties depend on the structure of dried foods: rehydration and instant properties, flavour retention and sensorial attributes (including colour and texture). The role of structure extends in biochemical and pharmaceutical products to the molecular level and plays key role in viability of desiccated plants and organisms and/or specific activity of dried biomolecules. Nowadays different techniques and pr
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Jarmusch, A. K., C. R. Ferreira, L. S. Eberlin, and V. Pirro. "187 OVARIAN CYCLE LIPID DYNAMICS REVEALED BY DESI-MS IMAGING AND MORPHOLOGICALLY-DRIVEN MULTIVARIATE STATISTICS." Reproduction, Fertility and Development 27, no. 1 (2015): 184. http://dx.doi.org/10.1071/rdv27n1ab187.

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Understanding the role of lipid metabolism in ovarian physiology is crucial for the progression of reproductive biotechnology. The aim in this work was to explore the lipid composition and dynamics of ovarian tissue, specifically the stroma, follicles, and corpora lutea. Desorption electrospray ionization–mass spectrometry (DESI-MS), an ambient ionization technique, was applied in this investigation, acquiring chemical and spatial information simultaneously. A morphologically-friendly solvent, dimethylformamide-acetonitrile (1 : 1), was used for DESI-MS imaging which allowed for ovarian lipid
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Opara, Jarosław, Boris Straumal, and Paweł Zięba. "Cellular Automata Modelling of Discontinuous Precipitation." Materials 14, no. 17 (2021): 4985. http://dx.doi.org/10.3390/ma14174985.

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The fundamentals of discontinuous precipitation (DP) reaction modelling using a cellular automata (CA) method are presented. In the proposed CA model, cell states, internal variables, equations, and transition rules were defined to predict the manner of mass transport during DP reaction and to relate changes in the microstructure with corresponding changes in chemical composition. Furthermore, the concept of digital material representation (DMR) was introduced into the CA model, which allowed schematic images of the microstructure to be used as starting structures in the modelling of the DP re
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Dissertations / Theses on the topic "Visualisation of chemical structures"

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Kayastha, Shilva. "New methods of multiscale chemical space analysis : visualization of structure-activity relationships and structural pattern extraction." Thesis, Strasbourg, 2017. http://www.theses.fr/2017STRAF042/document.

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Cette thèse est dédiée à l’analyse systématique de l’espace chimique, et des relations structure-activité (SAR) en particulier. L’ouvrage présente des nouveaux protocoles d’analyse combinant des méthodes classiques et originales, dans le but d’analyser les SAR à l’échelle globale ainsi que locale. L’analyse globale des espaces chimiques repose sur la recherche des motifs structuraux privilégiés par cartographie topographique générative (GTM), ainsi que par analyse classique des « châssis » moléculaires. La cartographie a été ensuite couplée avec l’analyse de réseaux chimiques (CSN), permettant
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Hult, Roger. "Segmentation and Visualisation of Human Brain Structures." Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis : Univ.-bibl. [distributör], 2003. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-3567.

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Rablen, Stephen Ford. "Visualisation of Magnetic Structures by bitter decoration." Thesis, University of Manchester, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.518465.

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Auber, David. "Outils de visualisation de larges structures de données." Bordeaux 1, 2002. http://www.theses.fr/2002BOR12607.

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Cette thèse présente un ensemble de résultats théoriques et pratiques, applicables dans le cadre de la visualisation d'informations. La première partie présente l'étude précise d'une structure de données performante. Dans la deuxième partie, nous présentons une amélioration de l'algorithme de Carriere et Kazman dédié au dessin d'arbres en 3D. Puis, nous présentons un algorithme, de complexité mémoire linéaire, permettant la représentation hiérarchique de grands graphes. Dans la troisième partie, nous donnons une méthode de simplification de graphes que npous utilisons pour respecter les contra
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Janols, Henrik. "Communicating long-span timber structures with 3D computer visualisation /." Luleå, 2005. http://epubl.luth.se/1402-1757/2005/30.

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Surur, Anwar. "Surveying, modelling and visualisation of geological structures in the Tunbergettunnel." Thesis, KTH, Geoinformatics, 2008. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-13258.

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<p>The 3-d visualisation of a section of the Tunberget tunnel and important fracture zones was accomplished by combination of the topographic surface, measurements at the surface of fracture planes together with surfaces of dolerite dykes, results from magnetic modeling of dolerite dykes and tunnel mapping data.</p><p>The topographic surface was represented as elevation contours with 1 m equidistance. The fracture and dolerite surfaces were measured geodetically in the field from a net of 20 total station locations. Each surface was measured at 3 points to determine its strike and dip. Totally
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Mayoraz, Raphaël. "Modélisation et visualisation infographiques tridimensionnelles de structures et propriétés géologiques /." Lausanne : Ecole polytechnique fédérale de Lausanne GEOLEP - Laboratoire de géologie, 1993. http://library.epfl.ch/theses/?display=detail&nr=1127.

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Greffard, Nicolas. "Visualisation stéréoscopique et interactive de structures en communautés dans des graphes." Phd thesis, Université de Nantes, 2013. http://tel.archives-ouvertes.fr/tel-01072368.

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Depuis les premiers travaux de Moreno en 1934, l'analyse de réseaux sociaux s'est toujours accompagnée de diagrammes représentant les relations entre individus. Depuis, la visualisation de graphes n'a cessé de se développer au sein des communautés de visualisation d'information et de dessin de graphes. Au-delà des travaux se concentrant sur les problèmes combinatoires et algorithmiques posés par les dessins de graphes on parle désormais de fouille visuelle de réseaux et plus généralement de visual analytics en intégrant l'utilisateur au coeur de l'analyse. Dans cette thèse nous nous concentron
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Basu, Nandini. "Heuristics for searching chemical structures." Diss., Columbia, Mo. : University of Missouri-Columbia, 2007. http://hdl.handle.net/10355/5000.

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Thesis (M.S.)--University of Missouri-Columbia, 2007.<br>The entire dissertation/thesis text is included in the research.pdf file; the official abstract appears in the short.pdf file (which also appears in the research.pdf); a non-technical general description, or public abstract, appears in the public.pdf file. Title from title screen of research.pdf file (viewed Apr. 9, 2009). Includes bibliographical references.
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Chu, Chia-Wei. "Clustering for 2D chemical structures." Thesis, University of Sheffield, 2011. http://etheses.whiterose.ac.uk/12810/.

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The clustering of chemical structures is important and widely used in several areas of chemoinformatics. A little-discussed aspect of clustering is standardization, it ensures all descriptors in a chemical representation make a comparable contribution to the measurement of similarity. The initial study compares the effectiveness of seven different standardization procedures that have been suggested previously, the results were also compared with unstandardized datasets. It was found that no one standardization method offered consistently the best performance. Comparative studies of clustering
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Books on the topic "Visualisation of chemical structures"

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Warr, Wendy A., ed. Chemical Structures. Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0.

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Archer, L. M. Visualisation of data structures, and operations on them. Universityof Manchester, Department of Computer Science, 1995.

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Foreman, Darren. Visualisation of data structures and operations on them. University of Manchester, 1995.

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Warr, Wendy A., ed. Chemical Structures 2. Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-642-78027-1.

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Warr, Wendy A., ed. Graphics for Chemical Structures. American Chemical Society, 1987. http://dx.doi.org/10.1021/bk-1987-0341.

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Mah, Richard S. H. Chemical process structures and information flows. Butterworths, 1990.

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Warr, Wendy A. Chemical Structures: The International Language of Chemistry. Springer Berlin Heidelberg, 1988.

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Fan, Xudong. Advanced Photonic Structures for Biological and Chemical Detection. Springer-Verlag New York, 2009.

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Fan, Xudong, ed. Advanced Photonic Structures for Biological and Chemical Detection. Springer New York, 2009. http://dx.doi.org/10.1007/978-0-387-98063-8.

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Król, Piotr. Linear polyurethanes: Synthesis methods, chemical structures, properties and applications. VSP, 2008.

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Book chapters on the topic "Visualisation of chemical structures"

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Chen, Chaomei. "Finding Salient Structures." In Information Visualisation and Virtual Environments. Springer London, 1999. http://dx.doi.org/10.1007/978-1-4471-3622-4_2.

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Kraus, Martin, and Thomas Ertl. "Topology-Guided Downsampling and Volume Visualisation." In Topological Data Structures for Surfaces. John Wiley & Sons, Ltd, 2006. http://dx.doi.org/10.1002/0470020288.ch9.

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Jochum, Peter, and Thomas Worbs. "A Multiprocessor Architecture for Substructure Search." In Chemical Structures. Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0_30.

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Lynch, Michael F. "Keynote Address R & D in Chemical Information Science: Retrospect and Prospect." In Chemical Structures. Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0_1.

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Henckler, William L., Debra L. Allison, Patricia L. Combs, Gary S. Franklin, Walter B. Gall, and Susan J. Sallamack. "Poster Session: Moving to an Online Environment for Chemical Information at Merck and Company." In Chemical Structures. Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0_10.

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Ahrens, Erick K. F. "Customisation for Chemical Database Applications." In Chemical Structures. Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0_11.

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Barnard, John M. "Problems of Substructure Search and Their Solution." In Chemical Structures. Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0_12.

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Nagy, M. Z., S. Kozics, T. Veszpremi, and P. Bruck. "Substructure Search on Very Large Files Using Tree-Structured Databases." In Chemical Structures. Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0_13.

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Brint, Andrew T., Eleanor Mitchell, and Peter Willett. "Substructure Searching in Files of Three-Dimensional Chemical Structures." In Chemical Structures. Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0_14.

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Bawden, David. "Browsing and Clustering of Chemical Structures." In Chemical Structures. Springer Berlin Heidelberg, 1988. http://dx.doi.org/10.1007/978-3-642-73975-0_15.

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Conference papers on the topic "Visualisation of chemical structures"

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Rafiq, Yaqub. "Visualisation—A Conceptual Design Aid." In Structures Congress 2011. American Society of Civil Engineers, 2011. http://dx.doi.org/10.1061/41171(401)206.

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Rolinson, Esther, and Sean Clark. "Digital Structures and Light Movements." In Electronic Visualisation and the Arts. BCS Learning & Development, 2018. http://dx.doi.org/10.14236/ewic/eva2018.16.

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Marchese, Francis T. "The Chemical Table: An Open Dialog between Visualization and Design." In 2008 12th International Conference Information Visualisation (IV). IEEE, 2008. http://dx.doi.org/10.1109/iv.2008.79.

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Grau, Oliver. "Renewing knowledge structures for Media Art." In Electronic Visualisation and the Arts (EVA 2010). BCS Learning & Development, 2010. http://dx.doi.org/10.14236/ewic/eva2010.38.

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Wang, Jing, Yufang Ho, Zhijie Xu, Dan McIntyre, and Jane Lugea. "The Visualisation of Cognitive Structures in Forensic Statements." In 2016 20th International Conference Information Visualisation (IV). IEEE, 2016. http://dx.doi.org/10.1109/iv.2016.60.

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Yamazawa, Maiko, Takayuki Itoh, and Fumiyoshi Yamashita. "Visualization and Level-of-Detail Control for Multi-Dimensional Bioactive Chemical Data." In 2008 12th International Conference Information Visualisation (IV). IEEE, 2008. http://dx.doi.org/10.1109/iv.2008.19.

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da Cruz, Michell C. O., Brunelli P. Miranda, Marissa Brasil de Carvalho, et al. "Visual Data Analysis for Hydrological Cycle Classification Based on Physico-Chemical Parameters." In 2016 20th International Conference Information Visualisation (IV). IEEE, 2016. http://dx.doi.org/10.1109/iv.2016.66.

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Selvam, Athira, Sravya K. V. S. P. Sai, and Bhadrachalam Chitturi. "Counting Chemical Structures Resembling Trees." In 2018 International Conference on Advances in Computing, Communications and Informatics (ICACCI). IEEE, 2018. http://dx.doi.org/10.1109/icacci.2018.8554905.

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Burloiu, Grigore, and Arshia Cont. "Visualizing Timed, Hierarchical Code Structures in AscoGraph." In 2015 19th International Conference on Information Visualisation (iV). IEEE, 2015. http://dx.doi.org/10.1109/iv.2015.37.

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Ahmad, Shamin, and Virendra K. Dwivedi. "Anisotropic chemical etching of silicon." In Smart Materials, Structures and MEMS, edited by Vasu K. Aatre, Vijay K. Varadan, and Vasundara V. Varadan. SPIE, 1998. http://dx.doi.org/10.1117/12.305554.

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Reports on the topic "Visualisation of chemical structures"

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Sneddon, Larry G. Chemical Routes to Ceramics With Tunable Properties and Structures. Defense Technical Information Center, 2006. http://dx.doi.org/10.21236/ada455765.

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Sneddon, Larry G., and Shu Yang. Chemical Routes to Ceramics with Tunable Properties and Structures: Chemical Routes to Nano and Micro-Structured Ceramics. Defense Technical Information Center, 2009. http://dx.doi.org/10.21236/ada589781.

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Clearfield, Abraham. The Synthesis, Structures, and Chemical Properties of Macrocyclic Ligands Covalently Bonded into Layered Arrays. Office of Scientific and Technical Information (OSTI), 2014. http://dx.doi.org/10.2172/1164084.

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Abraham Clearfield. The Synthesis, Structures and Chemical Properties of Macrocyclic Ligands Covalently Bonded into Layered Arrays. Office of Scientific and Technical Information (OSTI), 2009. http://dx.doi.org/10.2172/959123.

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Gustafson, Curt, and Vincent F. Hock. Modified Abrasive Blast/Chemical Stabilizer Admixtures for Deleading Immersed Steel Structures Coated With Lead-Based Paint. Defense Technical Information Center, 1997. http://dx.doi.org/10.21236/ada333765.

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Lad, Robert J. Structural, electronic and chemical properties of metal/oxide and oxide/oxide interfaces and thin film structures. Office of Scientific and Technical Information (OSTI), 1999. http://dx.doi.org/10.2172/758832.

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Vogt, B. M. How Clean is Safe? Improving the Effectiveness of Decontamination of Structures and People Following Chemical and Biological Incidents. Office of Scientific and Technical Information (OSTI), 2003. http://dx.doi.org/10.2172/814553.

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Agapov, Rebecca, and Mark D. Foster. Understanding Coatings that Protect Plasmonic Structures for Materials Characterization and Detection and Identification of Chemical, Biological and Explosive Agents. Defense Technical Information Center, 2013. http://dx.doi.org/10.21236/ada581846.

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Mcfarlane, R., and F. Goodarzi. A Photoacoustic Infrared Spectroscopic Study To Determine Variations of the Chemical Structures of Samples From Weathered Outcrops and Fresh Coals From western Canada. Natural Resources Canada/ESS/Scientific and Technical Publishing Services, 1990. http://dx.doi.org/10.4095/131346.

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In-depth survey report: control technology for removing lead-based paint from steel structures: chemical stripping at Columbus, Ohio Bridge Finishes, Inc., Columbus, Ohio. U.S. Department of Health and Human Services, Public Health Service, Centers for Disease Control and Prevention, National Institute for Occupational Safety and Health, 1999. http://dx.doi.org/10.26616/nioshectb18317a.

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