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Статті в журналах з теми "Functional molecules"
Archut, Andreas, and Fritz Vögtle. "Functional cascade molecules." Chemical Society Reviews 27, no. 4 (1998): 233. http://dx.doi.org/10.1039/a827233z.
Повний текст джерелаMayo, Kevin H. "Heterologous Interactions with Galectins and Chemokines and Their Functional Consequences." International Journal of Molecular Sciences 24, no. 18 (September 14, 2023): 14083. http://dx.doi.org/10.3390/ijms241814083.
Повний текст джерелаAbbaz, Tahar, Amel Bendjeddou та Didier Villemin. "Molecular structure, NBO analysis, first hyper polarizability, and homo-lumo studies of π-extended tetrathiafulvalene (EXTTF) derivatives connected to π-nitro phenyl by density functional method". International Journal of Advanced Chemistry 6, № 1 (5 червня 2018): 114. http://dx.doi.org/10.14419/ijac.v6i1.11126.
Повний текст джерелаSimpson, Jeremy C., and Arwyn T. Jones. "Early endocytic Rabs: functional prediction to functional characterization." Biochemical Society Symposia 72 (January 1, 2005): 99–108. http://dx.doi.org/10.1042/bss0720099.
Повний текст джерелаMaslehat, Sholeh, Soroush Sardari, and Mahboube Ganji Arjenaki. "Frequency and Importance of Six Functional Groups that Play a Role in Drug Discovery." Biosciences, Biotechnology Research Asia 15, no. 3 (September 27, 2018): 541–48. http://dx.doi.org/10.13005/bbra/2659.
Повний текст джерелаNiemeyer, Jochen, and Noel Pairault. "Chiral Mechanically Interlocked Molecules – Applications of Rotaxanes, Catenanes and Molecular Knots in Stereoselective Chemosensing and Catalysis." Synlett 29, no. 06 (February 26, 2018): 689–98. http://dx.doi.org/10.1055/s-0036-1591934.
Повний текст джерелаValášek, Michal, Marcin Lindner, and Marcel Mayor. "Rigid multipodal platforms for metal surfaces." Beilstein Journal of Nanotechnology 7 (March 8, 2016): 374–405. http://dx.doi.org/10.3762/bjnano.7.34.
Повний текст джерелаWatve, Milind. "How many functional molecules ?" Resonance 2, no. 7 (July 1997): 86–87. http://dx.doi.org/10.1007/bf02838596.
Повний текст джерелаBarik, Debashis, Geethanjali Anand, Subba Rao Cheekatla, and Mintu Porel. "A Novel Class of Functionally Tuneable Star-Shaped Molecules for Interaction with Multiple Proteins." Organics 4, no. 2 (May 16, 2023): 219–31. http://dx.doi.org/10.3390/org4020018.
Повний текст джерелаSplitter, Gary A. "Molecular and functional properties of leucocyte surface molecules." Veterinary Immunology and Immunopathology 35 (February 1993): 11–15. http://dx.doi.org/10.1016/0165-2427(93)90127-p.
Повний текст джерелаДисертації з теми "Functional molecules"
Laming, Gregory John. "Density functional theory for molecules." Thesis, University of Cambridge, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.336907.
Повний текст джерелаJenny, Nicolas [Verfasser]. "Synthesis of New Functional Molecules for Molecular Electronics / Nicolas Jenny." München : Verlag Dr. Hut, 2012. http://d-nb.info/1026652278/34.
Повний текст джерелаOlaoye, Olufemi Opeyemi. "Density functional calculation of simple molecules." Thesis, Stellenbosch : Stellenbosch University, 2012. http://hdl.handle.net/10019.1/20345.
Повний текст джерелаAFRIKAANSE OPSOMMING: Berekeninge met Density Functional Theory (DFT) is ’n nuttige tegniek om die dinamika van molekules op potensiële energievlakke te verstaan. Beginnende met ’n prototipe molekuul formaldimien, wat die kern vorm van die groter fotochromiese molekuul dithizonatophenyl kwik (DPM), word die modellering van die molekuul meer ingewikkeld tot laasgenoemde bestudeer kan word asook sy fotochromiese afgeleides wat vervanging van elektronryk en elektronarm radikale by orto, meta en para posisies van die phenyl ringe insluit. DFT berekeninge word met spektra van Absorpsiespektroskopie met UV en sigbare lig asook tyd opgeloste spektra, verkry dmv femtosekondespektroskopie, vergelyk. In pol^ere aprotiese, pol^ere protiese en nie-pol^ere oplosmiddels, isomeriseer die molekuul om die C=N dubbelbinding. Daar kan tussen die twee isomere onderskei word deur dat die een in oplossing in sy grondtoestand blou en die ander een oranje voorkom. Die isomerisering is’n fotogeinduseerde proses. Die optimering van die molekul^ere struktuur, absorpsiespektra, oplosmiddel-afhanklikheid, en potensiële energievlak metings van die molekuul word bestudeer. Die sterk/swak wisselwerking wat in pol^ere protiese/aprotiese oplosmiddels verskyn word geopenbaar deur die hoe/lae absorpsie van die sekond^ere bande van die molekules. Daar is gevind dat die absorpsiespektra van DPM bathochromies in oplosmiddels met hoë diëlektriese konstantes is. Vir die potensiële energievlak berekeninge van die grondtoestand word rigiede en ontspanne metodes gebruik waar laasgenoemde met gebroke simmetrie berekeninge verkry word. Van alle metodes wat vir berekeninge gebruik was, gee die B3LYP/CEP-31G metode die beste benadering aan eksperimentele data. Alle berekeninge word gedoen met twee bekende sagteware pakkette; Amsterdam Density Functional (ADF) en Gaussian, wat op twee verskillende DFT metodes gebaseer is.
ENGLISH ABSTRACT: Density functional theory is a useful computational tool in the understanding of molecular dynamics on potential energy surfaces. Starting with a prototype molecule formaldimine, the photochromic molecule dithizonatophenylmercury II (DPM) and a set of its photochromic derivatives, (involving substitutions of electron donating and electron withdrawing substituents at ortho, meta and para positions of the dithizonato phenyl rings), are studied through density functional calculation in comparison with steady state absorption spectra obtained from UV-Visible and femto second spectroscopy experiments. In polar aprotic, polar protic and non-polar solvents these molecules isomerise around C=N double bond chromophore, from orange electronic ground states to blue electronic ground states upon photo-excitation. We investigate the structural optimisations, the absorption spectra, the solvent dependence and the potential energy surface (PES) of these molecules. The strong (weak) interactions exhibited by the polar protic (aprotic) solvents used are revealed through high (low) absorbance in the secondary bands of these molecules. The absorption spectra of DPM are found to be bathochromic in solvents with high dielectric constants. For the ground state PES calculation we make use of rigid and relaxed methods, and the latter is obtained through broken symmetry calculation. Of all the methods used in calculation, B3LYP/CEP-31G method gives the best approximation to the experimental data. All calculations are done using the two renown software, Amsterdam Density Functional (ADF) and Gaussian, availing their different density functional methods.
Pace, Giuseppina. "Self-assembly of functional molecules at surfaces." Université Louis Pasteur (Strasbourg) (1971-2008), 2007. https://publication-theses.unistra.fr/public/theses_doctorat/2007/PACE_Giuseppina_2007.pdf.
Повний текст джерелаThis work is aimed at establishing a correlation between molecule-substrate and molecule-molecule interactions in view of the future implementation of nano-electronic devices based on unctional molecules. In particular, we studied the self-assembly behaviour of organic thiols functionalized molecules holding potential to act as switches on solid substrates. We focused on the isomerization of azobenzene based Self-Assembled Monolayers (SAMs) on gold substrates. A fine tuning of interchain interactions within the SAM made it possible to obtain high yield of isomerization. We also devised a new method to isolate individual functional molecules in a host SAM. In the final chapter we present our studies on the self-assembly properties of grid-like supramolecular architectures. Sub-molecularly resolved Scanning Tunneling Microscopy studies offered direct insights into structural and dynamic properties of the monolayers
Pace, Giuseppina Samori Paolo. "Self-assembly of functional molecules at surfaces." Strasbourg : Université Louis Pasteur, 2008. http://eprints-scd-ulp.u-strasbg.fr:8080/885/01/PACE_Giuseppina_2007.pdf.
Повний текст джерелаOda, Katsunari. "Synthetic studies on silicon-containing functional molecules." 京都大学 (Kyoto University), 2007. http://hdl.handle.net/2433/136238.
Повний текст джерелаKatzer, Frank. "Molecular genetic and functional analyses of surface molecules of Theileria annulata sporozoites." Thesis, University of York, 1995. http://etheses.whiterose.ac.uk/9778/.
Повний текст джерелаSahai, Erik Anand. "Functional analysis of RhoA and its effector molecules." Thesis, University College London (University of London), 1998. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.300839.
Повний текст джерелаCampitiello, Marilena <1983>. "Synthesis of Self-Assembling Molecules for Functional Materials." Doctoral thesis, Alma Mater Studiorum - Università di Bologna, 2017. http://amsdottorato.unibo.it/8165/1/Marilena%20Campitiello_Tesi.pdf.
Повний текст джерелаGatchell, Michael. "Molecular Hole Punching : Impulse Driven Reactions in Molecules and Molecular Clusters." Doctoral thesis, Stockholms universitet, Fysikum, 2016. http://urn.kb.se/resolve?urn=urn:nbn:se:su:diva-129523.
Повний текст джерелаAt the time of the doctoral defense, the following paper was unpublished and had a status as follows: Paper 1: Submitted.
Книги з теми "Functional molecules"
Wrigley, Stephen. Functional molecules from natural sources. Cambridge: Royal Society of Chemistry, 2011.
Знайти повний текст джерелаWrigley, Stephen K., Robert Thomas, Neville Nicholson, and Colin Bedford, eds. Functional Molecules from Natural Sources. Cambridge: Royal Society of Chemistry, 2010. http://dx.doi.org/10.1039/9781849732079.
Повний текст джерелаWeitao, Yang, ed. Density-functional theory of atoms and molecules. New York: Oxford University Press, 1989.
Знайти повний текст джерелаE, Ellis D., ed. Density functional theory of molecules, clusters, and solids. Dordrecht: Kluwer Academic Publishers, 1995.
Знайти повний текст джерелаEllis, D. E., ed. Density Functional Theory of Molecules, Clusters, and Solids. Dordrecht: Springer Netherlands, 1996. http://dx.doi.org/10.1007/978-94-011-0487-6.
Повний текст джерелаE, Smith John, and Chappell Leslie H, eds. Functional molecules on the surface of protozoan parasites. Cambridge, [England]: Cambridge University Press, 1994.
Знайти повний текст джерелаBritish Society for Parasitology. Symposium. Functional molecules on the surface of protozoan parasites. Edited by Smith John E. 1932- and Chappell L. H. Cambridge: Cambridge University Press, 1994.
Знайти повний текст джерелаEbata, Takayuki, and Masaaki Fujii, eds. Physical Chemistry of Cold Gas-Phase Functional Molecules and Clusters. Singapore: Springer Singapore, 2019. http://dx.doi.org/10.1007/978-981-13-9371-6.
Повний текст джерелаThor, G. Bioprocesses of biopharmaceuticals: The obligatory role of post translational modifications to create functional bioactive molecules. Westborough, MA: D&MD Publications, 2005.
Знайти повний текст джерелаDoba, Takahiro. Iron-Catalyzed C-H/C-H Coupling for Synthesis of Functional Small Molecules and Polymers. Singapore: Springer Nature Singapore, 2023. http://dx.doi.org/10.1007/978-981-99-4121-6.
Повний текст джерелаЧастини книг з теми "Functional molecules"
Cerofolini, Gianfranco. "Functional Molecules." In Nanoscale Devices, 83–93. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-540-92732-7_7.
Повний текст джерелаCerofolini, Gianfranco. "Grafting Functional Molecules." In Nanoscale Devices, 95–130. Berlin, Heidelberg: Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-540-92732-7_8.
Повний текст джерелаArend, Giordana Demaman, Claudio Malaghini, Maicon S. N. dos Santos, Carolina E. Demaman Oro, Marcus V. Tres, and Katia Rezzadori. "Functional Molecules Obtained by Membrane Technology." In Functional Meat Products, 181–92. New York, NY: Springer US, 2023. http://dx.doi.org/10.1007/978-1-0716-3573-5_14.
Повний текст джерелаGordan, Ovidiu D., and Dietrich R. T. Zahn. "Small Organic Molecules." In Ellipsometry of Functional Organic Surfaces and Films, 197–219. Berlin, Heidelberg: Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-642-40128-2_10.
Повний текст джерелаGordan, Ovidiu D., and Dietrich R. T. Zahn. "Small Organic Molecules." In Ellipsometry of Functional Organic Surfaces and Films, 295–317. Cham: Springer International Publishing, 2018. http://dx.doi.org/10.1007/978-3-319-75895-4_13.
Повний текст джерелаNarayan, Shoba. "Chitosan-Based Nanoformulation as Carriers of Small Molecules for Tissue Regeneration." In Functional Chitosan, 321–42. Singapore: Springer Singapore, 2019. http://dx.doi.org/10.1007/978-981-15-0263-7_11.
Повний текст джерелаFulde, P. "Density Functional Theory." In Electron Correlations in Molecules and Solids, 39–59. Berlin, Heidelberg: Springer Berlin Heidelberg, 1995. http://dx.doi.org/10.1007/978-3-642-57809-0_3.
Повний текст джерелаFulde, Peter. "Density Functional Theory." In Electron Correlations in Molecules and Solids, 39–59. Berlin, Heidelberg: Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-642-97477-9_3.
Повний текст джерелаFulde, P. "Density Functional Theory." In Electron Correlations in Molecules and Solids, 39–59. Berlin, Heidelberg: Springer Berlin Heidelberg, 1991. http://dx.doi.org/10.1007/978-3-642-97309-3_3.
Повний текст джерелаMartins, Natália, Maria Beatriz P. P. Oliveira, and Isabel C. F. R. Ferreira. "Development of Functional Dairy Foods." In Bioactive Molecules in Food, 1377–95. Cham: Springer International Publishing, 2019. http://dx.doi.org/10.1007/978-3-319-78030-6_35.
Повний текст джерелаТези доповідей конференцій з теми "Functional molecules"
Mironyuk, V. N., M. A. Kasatkina, T. Ya Karatyshova, M. V. Gavrikov, A. I. Smirnova, N. V. Usoltseva, and E. G. Glukhovskoy. "DFT STUDY OF THE ELECTRONIC PROPERTIES OF SYSTEMS BASED ON A3B-TYPE PORPHIN DERIVATIVE MOLECULES." In Actual problems of physical and functional electronics. Ulyanovsk State Technical University, 2023. http://dx.doi.org/10.61527/appfe-2023.139-141.
Повний текст джерелаPartoens, Bart. "Density functional theory approach to artificial molecules." In Density functional theory and its application to materials. AIP, 2001. http://dx.doi.org/10.1063/1.1390183.
Повний текст джерелаManion, Charles A., Ryan Arlitt, Irem Tumer, Matthew I. Campbell, and P. Alex Greaney. "Towards Automated Design of Mechanically Functional Molecules." In ASME 2015 International Design Engineering Technical Conferences and Computers and Information in Engineering Conference. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/detc2015-46078.
Повний текст джерелаKhazaee, Tina, Chris J. D. Norley, Hristo N. Nikolov, Steven I. Pollmann, and David W. Holdsworth. "Micro-CT imaging technique to characterize diffusion of small-molecules." In Biomedical Applications in Molecular, Structural, and Functional Imaging, edited by Barjor S. Gimi and Andrzej Krol. SPIE, 2020. http://dx.doi.org/10.1117/12.2548624.
Повний текст джерелаKobayashi, Norihisa, Makoto Nishizawa, Shintarou Inoue, and Kazuki Nakamura. "Streching of (DNA/functional molecules) complex between electrodes towards DNA molecular wire." In SPIE NanoScience + Engineering, edited by Norihisa Kobayashi, Fahima Ouchen, and Ileana Rau. SPIE, 2009. http://dx.doi.org/10.1117/12.828210.
Повний текст джерелаChiba, Hiroshi, Yukiko Oshikubo, Keiji Watanabe, Takeshi Tokairin, and Eishin Yamakawa. "Tribological Characteristics of Newly Synthesized Multi-Functional PFPE Lubricants." In World Tribology Congress III. ASMEDC, 2005. http://dx.doi.org/10.1115/wtc2005-63634.
Повний текст джерелаYin, Meng, Xiangyu Qiao, Qinqiang Zhang, Ken Suzuki, and Lei Wang. "Strain-Induced Change of Adsorption Behaviour of Gas Molecules on Graphene Analyzed by Density Functional Method." In ASME 2022 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2022. http://dx.doi.org/10.1115/imece2022-94892.
Повний текст джерелаHeilweil, E. J. "Population Lifetimes of OH(v=1) and OD(v=1) Vibrations in Alcohols, Silanols and Crystalline Micas." In International Conference on Ultrafast Phenomena. Washington, D.C.: Optica Publishing Group, 1986. http://dx.doi.org/10.1364/up.1986.wb3.
Повний текст джерелаMizuseki, Hiroshi, Nobuaki Igarashi, Rodion V. Belosludov, Amir A. Farajian, and Yoshiyuki Kawazoe. "Genetic Algorithm Approach to Functional Molecules for Nanoscale Devices." In 2004 International Conference on Solid State Devices and Materials. The Japan Society of Applied Physics, 2004. http://dx.doi.org/10.7567/ssdm.2004.p8-4.
Повний текст джерелаCunningham, Connor, Srajan Pillai, Jeong Ho You, Jaehoon Ji, and Jong Hyun Choi. "Photo-Switchable Optical Property of Two-Dimensional Transition Metal Dichalcogenides." In ASME 2023 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2023. http://dx.doi.org/10.1115/imece2023-111520.
Повний текст джерелаЗвіти організацій з теми "Functional molecules"
Burke, Kieron. Density Functional Theory with Dissipation: Transport through Single Molecules. Office of Scientific and Technical Information (OSTI), April 2012. http://dx.doi.org/10.2172/1039302.
Повний текст джерелаBartlett, Rodney J., and Anthony Yau. New AB Initio Based Density Functional Methods for Molecules, Polymers, and Crystals. Fort Belvoir, VA: Defense Technical Information Center, May 2000. http://dx.doi.org/10.21236/ada383087.
Повний текст джерелаRon, Eliora, and Eugene Eugene Nester. Global functional genomics of plant cell transformation by agrobacterium. United States Department of Agriculture, March 2009. http://dx.doi.org/10.32747/2009.7695860.bard.
Повний текст джерелаLeygue, Etienne R. Mammaglobin and Lipophilin Related Molecules in Normal and Tumor Human Breast Tissue: Expression Hormone Regulation and Functional Analysis. Fort Belvoir, VA: Defense Technical Information Center, August 2004. http://dx.doi.org/10.21236/ada430357.
Повний текст джерелаMyneni, Satish, C. In-situ Evaluation of Soil Organic Molecules: Functional Group Chemistry Aggregate Structures, Metal & Surface Complexation Using Soft X-Ray. Office of Scientific and Technical Information (OSTI), November 2008. http://dx.doi.org/10.2172/942132.
Повний текст джерелаYue, Xiaoshan, and Amanda B. Hummon. Proteomic Analysis to Identify Functional Molecules in Drug Resistance Caused by E-Cadherin Knockdown in 3D-Cultured Colorectal Cancer Models. Fort Belvoir, VA: Defense Technical Information Center, September 2013. http://dx.doi.org/10.21236/ada599355.
Повний текст джерелаMatthews, Lisa, Guanming Wu, Robin Haw, Timothy Brunson, Nasim Sanati, Solomon Shorser, Deidre Beavers, Patrick Conley, Lincoln Stein, and Peter D'Eustachio. Illuminating Dark Proteins using Reactome Pathways. Reactome, October 2022. http://dx.doi.org/10.3180/poster/20221027matthews.
Повний текст джерелаMcClure, Michael A., Yitzhak Spiegel, David M. Bird, R. Salomon, and R. H. C. Curtis. Functional Analysis of Root-Knot Nematode Surface Coat Proteins to Develop Rational Targets for Plantibodies. United States Department of Agriculture, October 2001. http://dx.doi.org/10.32747/2001.7575284.bard.
Повний текст джерелаChamovitz, Daniel A., and Zhenbiao Yang. Chemical Genetics of the COP9 Signalosome: Identification of Novel Regulators of Plant Development. United States Department of Agriculture, January 2011. http://dx.doi.org/10.32747/2011.7699844.bard.
Повний текст джерелаSosa Munguía, Paulina del Carmen, Verónica Ajelet Vargaz Guadarrama, Marcial Sánchez Tecuatl, Mario Garcia Carrasco, Francesco Moccia, and Roberto Berra-Romani. Diabetes mellitus alters intracellular calcium homeostasis in vascular endothelial cells: a systematic review. INPLASY - International Platform of Registered Systematic Review and Meta-analysis Protocols, May 2022. http://dx.doi.org/10.37766/inplasy2022.5.0104.
Повний текст джерела