Littérature scientifique sur le sujet « MOLECULAR PRINCIPLE »
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Articles de revues sur le sujet "MOLECULAR PRINCIPLE"
Bernasconi, M., G. L. Chiarotti, P. Focher, S. Scandolo, E. Tosatti et M. Parrinello. « First-principle-constant pressure molecular dynamics ». Journal of Physics and Chemistry of Solids 56, no 3-4 (mars 1995) : 501–5. http://dx.doi.org/10.1016/0022-3697(94)00228-2.
Texte intégralNaeim, Ihab H., J. Batle, S. Kadry et O. Tarawneh. « Molecular Dynamics Simulations and the Landauer’s Principle ». Open Systems & ; Information Dynamics 25, no 02 (juin 2018) : 1850006. http://dx.doi.org/10.1142/s1230161218500063.
Texte intégralSon, Joo-Hiuk. « Principle and applications of terahertz molecular imaging ». Nanotechnology 24, no 21 (25 avril 2013) : 214001. http://dx.doi.org/10.1088/0957-4484/24/21/214001.
Texte intégralPrasanna de Silva, A., et Nathan D. McClenaghan. « Proof-of-Principle of Molecular-Scale Arithmetic ». Journal of the American Chemical Society 122, no 16 (avril 2000) : 3965–66. http://dx.doi.org/10.1021/ja994080m.
Texte intégralJain, Abhinandan, In-Hee Park et Nagarajan Vaidehi. « Equipartition Principle for Internal Coordinate Molecular Dynamics ». Journal of Chemical Theory and Computation 8, no 8 (26 juillet 2012) : 2581–87. http://dx.doi.org/10.1021/ct3002046.
Texte intégralMCCONNELL, D. « C026 The principle ideas of molecular biology ». Journal of the European Academy of Dermatology and Venereology 9 (septembre 1997) : S64. http://dx.doi.org/10.1016/s0926-9959(97)89105-2.
Texte intégralOGATA, SHIGENOBU. « First-Principle Molecular Dynamics Methods and Its Applications. » NIPPON GOMU KYOKAISHI 72, no 11 (1999) : 647–52. http://dx.doi.org/10.2324/gomu.72.647.
Texte intégralYunusov, M. B., et R. M. Khusnutdinov. « First-Principle Molecular Dynamics Study of Methane Hydrate ». Journal of Physics : Conference Series 2270, no 1 (1 mai 2022) : 012052. http://dx.doi.org/10.1088/1742-6596/2270/1/012052.
Texte intégralR. Kokil, Ganesh, et Prarthana V. Rewatkar. « Bioprecursor Prodrugs : Molecular Modification of the Active Principle ». Mini-Reviews in Medicinal Chemistry 10, no 14 (1 décembre 2010) : 1316–30. http://dx.doi.org/10.2174/138955710793564179.
Texte intégralDuval, P., A. Raynaud et C. Saulgeot. « The molecular drag pump : Principle, characteristics, and applications ». Journal of Vacuum Science & ; Technology A : Vacuum, Surfaces, and Films 6, no 3 (mai 1988) : 1187–91. http://dx.doi.org/10.1116/1.575674.
Texte intégralThèses sur le sujet "MOLECULAR PRINCIPLE"
Kirchhoff, Florian. « Simulation of liquid chalcogenides by first-principle molecular dynamics ». Thesis, Keele University, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.339849.
Texte intégralSutcliffe, Julia H. « Quantum studies of molecular dynamics ». Thesis, University of Nottingham, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.282566.
Texte intégralYasuda, Koji, et Daisuke Yamaki. « Simple minimum principle to derive a quantum-mechanical/molecular-mechanical method ». American Institute of Physics, 2004. http://hdl.handle.net/2237/8738.
Texte intégralZhang, Lei, et 張磊. « First principle calculation : current density in AC electric field ». Thesis, The University of Hong Kong (Pokfulam, Hong Kong), 2009. http://hub.hku.hk/bib/B43278437.
Texte intégralZhang, Lei. « First principle calculation : current density in AC electric field / ». Click to view the E-thesis via HKUTO, 2009. http://sunzi.lib.hku.hk/hkuto/record/B43278437.
Texte intégralJou, Wen Chi. « The theoretical studies of time-correlation functions with the first principle molecular dynamics simulations on surfaces / ». Tamsui : Tamkang University, Department of Chemistry, 2007. http://etds.lib.tku.edu.tw/etdservice/view_metadata?etdun=U0002-0207200714531200.
Texte intégralWild, Michael de. « Novel principle for 2D molecular self-assembly : self-intermixed monolayer phases of sub-phthalocyanine and C₆₀ on Ag(111) / ». Basel : Universität Basel, 2002. http://edoc.unibas.ch/diss/DissB_6271.
Texte intégralAfaneh, Akef. « Computational investigations of the electronic structure of molecular mercury compounds : ion-selective sensors ». Springer International Publishing AG, 2012. http://hdl.handle.net/1993/30661.
Texte intégralOctober 2015
Yang, Qiufeng. « Separation and Properties of La₂O₃ in Molten LiF-NaF-KF Salt ». Thesis, Virginia Tech, 2018. http://hdl.handle.net/10919/87058.
Texte intégralMaster of Science
With the fast development of modern society and economy, more and more energy is urgently needed to meet the growth of industry. Since the traditional energy, such as nature gas, coal, has limited storage and not sustainable, nuclear energy has attracted much attention in the past few decades. Although lots of study has been conducted by thousands of researchers which has attributed to application of nuclear power, there are still some concerns in this field, among which, impurities removal is the most difficult part. Fluoride salt cooled high temperature reactor (FHR) is one of the most promising Gen IV reactor types. As the name indicates, molten salt is the coolant to serve as the heat exchanger intermedium. In addition, it’s inevitable that fission products, i.e. lanthanum, moisture, would leak into the coolant pipe, thus affect the molten salt properties, even degrade reactor performance, therefore, those impurities must be removed without introducing new impurities. In this study, the La₂O₃-LiF-NaF-KF (La₂O₃-FLiNaK) system is used to demonstrate impurity separation into molten fluoride salt. First, solubility of lanthanum oxide in FLiNaK has been measured at different temperatures to understand its dissolution mechanisms. Then, electrochemical experiments with tungsten and graphite as working electrodes were conducted individually to demonstrate the separation of the dissolved oxide from the salt. It has been concluded that tungsten performed well to separate La3+, while failed in the separation of O2-. However, graphite working electrode has succeeded in the removal of La³⁺ and O²⁻. Finally, molecular dynamic simulation with first principle was also conducted to further understand the local structure and heat of formation in the molten FLiNaK and La₂O₃-FLiNaK salt.
Batisteti, Caroline Belotto [UNESP]. « Os estudos de Avery, Macleod e Mccarty e a idéia do DNA como responsável pela hereditariedade : interpretações historiográficas e apontamentos para o ensino de biologia ». Universidade Estadual Paulista (UNESP), 2010. http://hdl.handle.net/11449/90888.
Texte intégralCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
Um dos momentos históricos interessantes no estabelecimento da Biologia Molecular diz respeito às pesquisas realizadas por Avery, MacLeod e McCarty, que indicaram que a natureza química do princípio transformante bacteriano era o DNA. A nosso ver, esse episódio pode ser explorado do ponto de vista histórico, e assim fornecer elementos relevantes para o Ensino de Ciências. Em relação à perspectiva histórica, embora os estudos de Avery e colaboradores sejam atualmente considerados referência no estabelecimento de relações entre DNA e hereditariedade, há na literatura apontamentos sobre a provável não aceitação imediata desses pela comunidade científica da época (1944). Assim, o objetivo da presente pesquisa foi investigar, por meio da análise de fontes primárias, como artigos, documentos e correspondências que envolvem Avery e colaboradores, os motivos para a resistência inicial aos resultados de seus trabalhos. Dentre as razões levantadas, podemos mencionar dúvidas de cunho técnico, que indicavam a presença de proteínas nos preparados utilizados por Avery e colaboradores, a suposta timidez de Avery e a idéia de sua proposta ter sido cientificamente prematura. Outra razão, que aparentemente, abrange um maior número de aspectos envolvidos no processo de construção do conhecimento em questão, refere-se à hipótese de que a idéia do DNA como responsável pela hereditariedade encontrou dificuldades em ser aceita, pois, foi produzida e apresentada inicialmente fora da área de domínio da temática de interesse, no caso, a Genética. Acerca da utilização do episódio histórico em questão no Ensino, essa se justifica, pois possibilita a observação de diversos elementos que caracterizam e estão envolvidos na produção científica, como por exemplo: implicações metodológicas, subjetividade dos indivíduos, coletividade...
One of the interesting historical moment on the establishment of Molecular Biology is related to Avery, MacLeod and McCarty’s research, which indicated that the chemical nature of the transforming principle in bacteria was DNA. In our view, this episode can be explored from a historical perspective, and thus provide relevant information to the Teaching of Science. Regarding the historical perspective, although Avery and his colleague’s studies are now considered landmark in the establishment of relations between DNA and heredity, in literature there are notes on the probable immediate rejection of this by the scientific community of that time (1944). The objective of this research was to investigate, through analysis of primary sources such as articles, documents and correspondence involving Avery and his colleagues, the reasons for the initial resistance to the results of their work. Among the reasons raised, we can mention technical-doubt, which indicated the presence of protein in the preparations used by Avery and his colleagues, the alleged Avery’s timidity and the idea of his proposal was scientifically premature. Another reason, which apparently includes a greater number of issues involved in building the knowledge in discussion, refers to the hypothesis that the idea of DNA as responsible for heredity found difficulties to be accepted, because it was produced and presented initially outside of Genetics field. As far as use of the referred historical episode in Education or in Teaching of Biology, this is justified because it enables the observation of several elements that characterize and are involved in scientific research, such as: methodological implications, the subjectivity of individuals, collective production of knowledge, social influences (hostility), the impact of the journal in which they release a specific publication, ... (Complete abstract, click electronic access below)
Livres sur le sujet "MOLECULAR PRINCIPLE"
Jean-Paul, Behr, dir. The lock-and-key principle : The state of the art--100 years on. Chichester [England] : Wiley, 1994.
Trouver le texte intégralSingh, R. K. Molecular plant breeding : Principle, method and application. Houston, Texas : Studium Press, 2010.
Trouver le texte intégralCenter, Goddard Space Flight, dir. A far-wing line shape theory which satisfies the detailed balance principle. [Greenbelt, Md.] : NASA Goddard Space Flight Center, 1995.
Trouver le texte intégralKilleen, Anthony A. Principles of molecular pathology. Totowa, N.J : Humana Press, 2004.
Trouver le texte intégralPrinciples of molecular pathology. Totowa, N.J : Humana Press, 2004.
Trouver le texte intégralKilleen, Anthony A. Principles of molecular pathology. Totowa, N.J : Humana Press, 2004.
Trouver le texte intégralD, Försterling H., dir. Principles of physical chemistry : Understanding molecules, molecular assemblies, supramolecular machines. Chichester : Wiley, 2000.
Trouver le texte intégralMolecular physics : Theoretical principles and experimental methods. Weinheim : Wiley-VCH, 2005.
Trouver le texte intégral1954-, Runge Marschall Stevens, et Patterson Cam, dir. Principles of molecular cardiology. Totowa, N.J : Humana Press, 2005.
Trouver le texte intégralPrinciples of molecular virology. Burlington, Mass : Academic Press, 2012.
Trouver le texte intégralChapitres de livres sur le sujet "MOLECULAR PRINCIPLE"
Miller, Jeffrey E. « Immunoglobulin and T Cell Receptor Gene Rearrangement : Principle ». Dans Molecular Genetic Pathology, 825–56. New York, NY : Springer New York, 2012. http://dx.doi.org/10.1007/978-1-4614-4800-6_30.
Texte intégralOttova, A., et H. T. Tien. « The Lipid Bilayer Principle and Molecular Electronics ». Dans Molecular Electronics : Bio-sensors and Bio-computers, 197–225. Dordrecht : Springer Netherlands, 2003. http://dx.doi.org/10.1007/978-94-010-0141-0_6.
Texte intégralRambidi, Nicholas G. « Self-Organization : A Common Principle of Information Processing by Distributed Dynamic Systems ». Dans Molecular Computing, 167–84. Vienna : Springer Vienna, 2014. http://dx.doi.org/10.1007/978-3-211-99699-7_6.
Texte intégralTakiue, Takanori, Yoshimune Nonomura et Syuji Fujii. « The Principle and Physical Chemistry of Soft Interface ». Dans Molecular Soft-Interface Science, 3–25. Tokyo : Springer Japan, 2019. http://dx.doi.org/10.1007/978-4-431-56877-3_1.
Texte intégralDeKieviet, M., D. Dubbers, S. Hafner et F. Lang. « Atomic Beam Spin Echo. Principle and Surface Science Application ». Dans Atomic and Molecular Beams, 161–74. Berlin, Heidelberg : Springer Berlin Heidelberg, 2001. http://dx.doi.org/10.1007/978-3-642-56800-8_10.
Texte intégralJi, Sungchul. « The Knowledge Uncertainty Principle in Biomedical Sciences ». Dans Molecular Theory of the Living Cell, 621–31. New York, NY : Springer New York, 2011. http://dx.doi.org/10.1007/978-1-4614-2152-8_20.
Texte intégralUehara, K., M. Ishitobi, T. Oda et Y. Hiwatari. « First-principle molecular dynamics calculation of selenium clusters ». Dans Small Particles and Inorganic Clusters, 472–75. Berlin, Heidelberg : Springer Berlin Heidelberg, 1997. http://dx.doi.org/10.1007/978-3-642-60854-4_112.
Texte intégralCancès, Eric. « Introduction to First-Principle Simulation of Molecular Systems ». Dans Computational Mathematics, Numerical Analysis and Applications, 61–106. Cham : Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-49631-3_2.
Texte intégralMichalak, Artur, et Tom Ziegler. « Modeling Chemical Reactions with First-Principle Molecular Dynamics ». Dans Challenges and Advances in Computational Chemistry and Physics, 225–74. Dordrecht : Springer Netherlands, 2007. http://dx.doi.org/10.1007/1-4020-5372-x_4.
Texte intégralSchneider, Thomas D. « Some Lessons for Molecular Biology from Information Theory ». Dans Entropy Measures, Maximum Entropy Principle and Emerging Applications, 229–37. Berlin, Heidelberg : Springer Berlin Heidelberg, 2003. http://dx.doi.org/10.1007/978-3-540-36212-8_12.
Texte intégralActes de conférences sur le sujet "MOLECULAR PRINCIPLE"
Ye, Bing-Gang, et You Ling. « Principle and Realization of Nano-Molecular Probe in Molecular Imaging Technologies ». Dans 2009 3rd International Conference on Bioinformatics and Biomedical Engineering (iCBBE). IEEE, 2009. http://dx.doi.org/10.1109/icbbe.2009.5163246.
Texte intégralKondo, Yasushi. « LIQUID-STATE NMR QUANTUM COMPUTER : WORKING PRINCIPLE AND SOME EXAMPLES ». Dans Molecular Realizations of Quantum Computing 2007. WORLD SCIENTIFIC, 2009. http://dx.doi.org/10.1142/9789812838681_0001.
Texte intégralTurco, Alessandro, Daniele Passerone, Franco Cardin, B. G. Sidharth, F. Honsell, O. Mansutti, K. Sreenivasan et A. De Angelis. « Tonelli Principle : finite reduction and fixed energy Molecular Dynamics trajectories ». Dans FRONTIERS OF FUNDAMENTAL AND COMPUTATIONAL PHYSICS : 9th International Symposium. AIP, 2008. http://dx.doi.org/10.1063/1.2947680.
Texte intégralShi, Qin, Shourong Wang, Anping Qiu, Yishen Xu et Xunsheng Ji. « Design Principle of Suspension of MEMS Gyroscope ». Dans 2006 1st IEEE International Conference on Nano/Micro Engineered and Molecular Systems. IEEE, 2006. http://dx.doi.org/10.1109/nems.2006.334695.
Texte intégralVo-Dinh, T., et D. L. Stokes. « SERODS : A New Principle for High-Density Optical Data Storage ». Dans Optical Data Storage. Washington, D.C. : Optica Publishing Group, 1994. http://dx.doi.org/10.1364/ods.1994.tud1.
Texte intégralJin, Lei, Liang S. Qiang, Ying Xie et Hong G. Fu. « First-principle Calculations of Optical Properties of LiNbO3 ». Dans 2006 1st IEEE International Conference on Nano/Micro Engineered and Molecular Systems. IEEE, 2006. http://dx.doi.org/10.1109/nems.2006.334666.
Texte intégralChisolm, Eric D., Scott D. Crockett, M. Sam Shaw, Mark Elert, Michael D. Furnish, William W. Anderson, William G. Proud et William T. Butler. « SHOCK HUGONIOTS OF MOLECULAR LIQUIDS AND THE PRINCIPLE OF CORRESPONDING STATES ». Dans SHOCK COMPRESSION OF CONDENSED MATTER 2009 : Proceedings of the American Physical Society Topical Group on Shock Compression of Condensed Matter. AIP, 2009. http://dx.doi.org/10.1063/1.3295199.
Texte intégralLoomis, Ryan, Anthony Remijan, Samantha Blair, Chelen Johnson et Amy Robertson. « INVESTIGATING THE "MINIMUM ENERGY PRINCIPLE" IN SEARCHES FOR NEW MOLECULAR SPECIES - THE CASE OF H2C3O ISOMERS ». Dans 69th International Symposium on Molecular Spectroscopy. Urbana, Illinois : University of Illinois at Urbana-Champaign, 2014. http://dx.doi.org/10.15278/isms.2014.wf15.
Texte intégralBernet, Stefan, Alois Renn, Bern Kohler et Urs P. Wild. « Molecular Computing : Parallel Binary Additions ». Dans Spectral Hole-Burning and Luminescence Line Narrowing : Science and Applications. Washington, D.C. : Optica Publishing Group, 1992. http://dx.doi.org/10.1364/shbl.1992.thb3.
Texte intégralSivov, I. G., et I. S. Firsov. « FLECK QUANTIFICATION OF THE NUMBER OF INFECTIOUS SARS-COV-2 CORONAVIRUS PARTICLES ». Dans Molecular Diagnostics and Biosafety. Federal Budget Institute of Science 'Central Research Institute for Epidemiology', 2020. http://dx.doi.org/10.36233/978-5-9900432-9-9-173.
Texte intégralRapports d'organisations sur le sujet "MOLECULAR PRINCIPLE"
Martinez, Melissa. Lab Basics : Mini Centrifuges. ConductScience, juin 2022. http://dx.doi.org/10.55157/cs20220601.
Texte intégralGygi, Francois, Giulia Galli et Eric Schwegler. High-Performance First-Principles Molecular Dynamics for Predictive Theory and Modeling. Office of Scientific and Technical Information (OSTI), décembre 2017. http://dx.doi.org/10.2172/1410963.
Texte intégralBhatia, Harsh, Attila Gyulassy, Mitchell Ong, Vincenzo Lordi, Erik Draeger, John Pask, Valerio Pascucci et Peer Timo Bremer. Understanding Lithium Solvation and Diffusion through Topological Analysis of First-Principles Molecular Dynamics. Office of Scientific and Technical Information (OSTI), septembre 2016. http://dx.doi.org/10.2172/1331475.
Texte intégralIvanov, Aleksandr, Sadananda Das, Vyacheslav Bryantsev, Costas Tsouris, Austin Ladshaw et Sotira Yiacoumi. Predicting Selectivity of Uranium vs. Vanadium from First Principles : Complete Molecular Design and Adsorption Modeling. Office of Scientific and Technical Information (OSTI), juillet 2017. http://dx.doi.org/10.2172/1454410.
Texte intégralGygi, F., E. Draeger, B. de Supinski, R. Yates, F. Franchetti, S. Kral, J. Lorenz, C. Ueberhueber, J. Gunnels et J. Sexton. Large-Scale First-Principles Molecular Dynamics Simulations on the BlueGene/L Platform using the Qbox Code. Office of Scientific and Technical Information (OSTI), janvier 2006. http://dx.doi.org/10.2172/883590.
Texte intégralFreitag, Mark A. From First Principles : The Application of Quantum Mechanics to Complex Molecules and Solvated Systems. Office of Scientific and Technical Information (OSTI), décembre 2001. http://dx.doi.org/10.2172/803098.
Texte intégralDiebold, Ulrike. Towards a Molecular Scale Understanding of Surface Chemistry and Photocatalysis on Metal Oxides : Surface Science Experiments and First Principles Theory. Office of Scientific and Technical Information (OSTI), janvier 2015. http://dx.doi.org/10.2172/1168810.
Texte intégralSorescu, Dan C., Jerry A. Boatz et Donald L. Thompson. First Principles Calculation of the Chemisorption Properties of Nitro-Containing Molecules on the Al(111) Surface (Multiscale Simulations of High Energy Density Materials Challenge Project). Fort Belvoir, VA : Defense Technical Information Center, mai 2002. http://dx.doi.org/10.21236/ada410776.
Texte intégralMurray, Chris, Keith Williams, Norrie Millar, Monty Nero, Amy O'Brien et Damon Herd. A New Palingenesis. University of Dundee, novembre 2022. http://dx.doi.org/10.20933/100001273.
Texte intégralMcCarthy, Noel, Eileen Taylor, Martin Maiden, Alison Cody, Melissa Jansen van Rensburg, Margaret Varga, Sophie Hedges et al. Enhanced molecular-based (MLST/whole genome) surveillance and source attribution of Campylobacter infections in the UK. Food Standards Agency, juillet 2021. http://dx.doi.org/10.46756/sci.fsa.ksj135.
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