Literatura académica sobre el tema "Hückel molecular orbital theory"
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Artículos de revistas sobre el tema "Hückel molecular orbital theory"
MORALES-BAYUELO, ALEJANDRO, JUAN TORRES y RICARDO VIVAS-REYES. "HÜCKEL TREATMENT OF PYRROLE AND PENTALENE AS A FUNCTION OF CYCLOPENTADIENYL USING LOCAL QUANTUM SIMILARITY INDEX (LQSI) AND THE TOPO-GEOMETRICAL SUPERPOSITION APPROACH (TGSA)". Journal of Theoretical and Computational Chemistry 11, n.º 01 (febrero de 2012): 223–39. http://dx.doi.org/10.1142/s0219633612500150.
Texto completoGrado-Caffaro, M. A. y M. Grado-Caffaro. "A Molecular-Orbital Model for Amorphous Group IV Semiconductors". Active and Passive Electronic Components 20, n.º 1 (1997): 41–44. http://dx.doi.org/10.1155/1997/65485.
Texto completoWolfe, Saul, Zheng Shi, C. E. Brion, James Rolke, Yenyou Zheng, Glyn Cooper, Delano P. Chong y C. Y. Hu. "Electron momentum spectroscopy of the frontier electrons of DABCO does not support an sp3 hybrid lone-pair description". Canadian Journal of Chemistry 80, n.º 3 (1 de marzo de 2002): 222–27. http://dx.doi.org/10.1139/v01-201.
Texto completoSharma, Brahama D. "Molecular Orbital (Hückel) Theory and Linus Pauling: A Historical Perspective". Journal of Chemical Education 73, n.º 8 (agosto de 1996): 746. http://dx.doi.org/10.1021/ed073p746.
Texto completoLangler, Richard Francis y Laura Precedo. "On the possibilities of π-ylides". Canadian Journal of Chemistry 68, n.º 6 (1 de junio de 1990): 939–41. http://dx.doi.org/10.1139/v90-146.
Texto completoRashed, Effat A. "Calculations of Constant-Height STM Images of Fullerene C60 Adsorbed onto a Surface". Journal of Spectroscopy 2023 (21 de junio de 2023): 1–7. http://dx.doi.org/10.1155/2023/8841630.
Texto completoTeschmit, Grit, P. Strauch, A. Barthel, J. Reinhold y R. Kirmse. "EPR-Einkristall-Untersuchungen an (n-Bu4N)2[Cu(dmit)2] im antiferromagnetisch gekoppelten Wirtsgitter (n-Bu4N)2[(dmit)Cu(tto)Cu(dmit)]: Ein Beitrag zur Aufklärung der sogenannten „paramagnetischen Verunreinigung“ im Wirtsgitter / A Single Crystal EPR Investigation on (n-Bu4N)2[Cu(dmit)2] in the Antiferromagnetically Coupled Host Lattice (n-Bu4N)2[(dmit)Cu(tto)Cu(dmit)]: A Contribution to the Nature of the So-called “Paramagnetic Impurities”". Zeitschrift für Naturforschung B 54, n.º 7 (1 de julio de 1999): 832–38. http://dx.doi.org/10.1515/znb-1999-0702.
Texto completoDumont, Randall S. "Effects of charging and polarization on molecular conduction via the source-sink potential method". Canadian Journal of Chemistry 92, n.º 2 (febrero de 2014): 100–111. http://dx.doi.org/10.1139/cjc-2013-0227.
Texto completoChauvin, Remi, Christine Lepetit, Valérie Maraval y Léo Leroyer. "Variation of aromaticity by twisting or expanding the ring content". Pure and Applied Chemistry 82, n.º 4 (26 de marzo de 2010): 769–800. http://dx.doi.org/10.1351/pac-con-09-11-07.
Texto completoLitofsky, Joshua y Rama Viswanathan. "Introduction to Computational Chemistry: Teaching Hückel Molecular Orbital Theory Using an Excel Workbook for Matrix Diagonalization". Journal of Chemical Education 92, n.º 2 (20 de noviembre de 2014): 291–95. http://dx.doi.org/10.1021/ed500376q.
Texto completoTesis sobre el tema "Hückel molecular orbital theory"
Wang, Yanbin. "Molecular Modeling Study of Oxidative Degradation of Polyperfluoroethers Catalyzed by Iron Fluoride Surfaces : An Extended Hückel Theory Approach". Thesis, University of North Texas, 1995. https://digital.library.unt.edu/ark:/67531/metadc278315/.
Texto completoZimmerman, Steven. "Hückel Energy of a Graph: Its Evolution From Quantum Chemistry to Mathematics". Master's thesis, University of Central Florida, 2011. http://digital.library.ucf.edu/cdm/ref/collection/ETD/id/4729.
Texto completoID: 030646262; System requirements: World Wide Web browser and PDF reader.; Mode of access: World Wide Web.; Thesis (M.S.)--University of Central Florida, 2011.; Includes bibliographical references (p. 32-34).
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Mathematical Science
Haggerston, Darren. "Some studies in the gas phase using photoelectron spectroscopy". Thesis, University of Southampton, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.262155.
Texto completoYu, Jenwei Roscoe. "Methane activation over molybdenum disulfide, molybdenum carbide, and silver(110). Molecular orbital theory". Case Western Reserve University School of Graduate Studies / OhioLINK, 1990. http://rave.ohiolink.edu/etdc/view?acc_num=case1059138320.
Texto completoGraham, John Patrick. "Applications of molecular orbital theory in the structure, bonding and reactivity of inorganic molecules /". The Ohio State University, 1996. http://rave.ohiolink.edu/etdc/view?acc_num=osu1487941504295077.
Texto completoJen, Shu-Fen. "Oxidation and reduction of carbon monoxide and methane carbon-hydrogen bond activation: Molecular orbital theory". Case Western Reserve University School of Graduate Studies / OhioLINK, 1991. http://rave.ohiolink.edu/etdc/view?acc_num=case1056129369.
Texto completoDinsmore, David Raymond. "A model for computational undergraduate research using molecular orbital theory and a low-cost unix workstation /". Lynchburg, Va. : Liberty University, 2004. http://digitalcommons.liberty.edu.
Texto completoMoncrieff, D. "Application of the configuration interaction wavefunction on the study of ionisation effects". Thesis, University of Manchester, 1986. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376583.
Texto completoSmith, Stephen. "Ab initio molecular orbital calculations : a comparison of theory and experiment for some current problems in chemistry". Thesis, University of Manchester, 1988. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.237282.
Texto completoSonnenberg, Jason Louis. "Structure and reactivity studies of environmentally relevant actinide-containing species using relativistic density functional theory". Connect to resource, 2005. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1124308219.
Texto completoTitle from second page of PDF file. Document formatted into pages; contains xxiii, 151 p.; also includes graphics (some col.). Includes bibliographical references (p. 140-151). Available online via OhioLINK's ETD Center
Libros sobre el tema "Hückel molecular orbital theory"
Antony, Nechvatal, ed. Pictorial orbital theory. London: Pitman, 1985.
Buscar texto completoTedder, John M. Pictorial orbital theory. London: Pitman, 1985.
Buscar texto completoJ, Hehre Warren, ed. Ab initio molecular orbital theory. New York: Wiley, 1986.
Buscar texto completoAlbright, Thomas A. Problems in molecular orbital theory. New York: Oxford University Press, 1992.
Buscar texto completoUdagawa, Taro. Multi-component molecular orbital theory. New York: Nova Science Publishers, 2009.
Buscar texto completoUdagawa, Taro. Multi-component molecular orbital theory. Hauppauge, N.Y: Nova Science Publishers, 2008.
Buscar texto completoDias, Jerry Ray. Molecular Orbital Calculations Using Chemical Graph Theory. Berlin, Heidelberg: Springer Berlin Heidelberg, 1993. http://dx.doi.org/10.1007/978-3-642-77894-0.
Texto completoDias, Jerry Ray. Molecular orbital calculations using chemical graph theory. Berlin: Springer-Verlag, 1993.
Buscar texto completoOrbital interaction theory of organic chemistry. New York: Wiley, 1994.
Buscar texto completoOrbital interaction theory of organic chemistry. 2a ed. New York: Wiley-Interscience, 2001.
Buscar texto completoCapítulos de libros sobre el tema "Hückel molecular orbital theory"
Prasad, Ram Yatan y Pranita. "Hückel Molecular Orbital Theory/Method". En Computational Quantum Chemistry, 563–645. 2a ed. Second edition. | Boca Raton : CRC Press, 2021.: CRC Press, 2021. http://dx.doi.org/10.1201/9781003133605-13.
Texto completoCvetković, Dragoš. "Characterizing properties of some graph invariants related to electron charges in the Hückel molecular orbital theory". En Discrete Mathematical Chemistry, 79–84. Providence, Rhode Island: American Mathematical Society, 2000. http://dx.doi.org/10.1090/dimacs/051/06.
Texto completoRousseau, Roger y Stephen Lee. "Topological Control of Molecular Orbital Theory: A Comparison of µ2-Scaled Hückel Theory and Restricted Hartree-Fock Theory for Boranes and Carboranes". En Graph Theoretical Approaches to Chemical Reactivity, 73–108. Dordrecht: Springer Netherlands, 1994. http://dx.doi.org/10.1007/978-94-011-1202-4_3.
Texto completoHelgaker, Trygve, Poul Jørgensen y Jeppe Olsen. "Orbital Rotations". En Molecular Electronic-Structure Theory, 80–106. Chichester, UK: John Wiley & Sons, Ltd, 2014. http://dx.doi.org/10.1002/9781119019572.ch3.
Texto completoYasui, Jun. "Algebraic Molecular Orbital Theory". En The DV-Xα Molecular-Orbital Calculation Method, 27–47. Cham: Springer International Publishing, 2014. http://dx.doi.org/10.1007/978-3-319-11185-8_2.
Texto completoKazansky, L. R. "Physical Methods in Studying Polyoxometalates: Extended HÜCkel Molecular Orbital Calculations and Spectroscopic Properties". En Polyoxometalate Molecular Science, 175–209. Dordrecht: Springer Netherlands, 2003. http://dx.doi.org/10.1007/978-94-010-0091-8_5.
Texto completoJohnson, Adam R. y Chip Nataro. "Teaching Molecular Orbital Theory Better". En ACS Symposium Series, 47–63. Washington, DC: American Chemical Society, 2020. http://dx.doi.org/10.1021/bk-2020-1370.ch005.
Texto completoAnderson, Alfred B. "Molecular Orbital Theory of Surfaces". En The Handbook of Surface Imaging and Visualization, 465–72. Boca Raton: CRC Press, 2022. http://dx.doi.org/10.1201/9780367811815-33.
Texto completoJug, K. y M. S. Gopinathan. "Valence in Molecular Orbital Theory". En The Concept of the Chemical Bond, 77–105. Berlin, Heidelberg: Springer Berlin Heidelberg, 1990. http://dx.doi.org/10.1007/978-3-642-61277-0_3.
Texto completoHelgaker, Trygve, Poul Jørgensen y Jeppe Olsen. "Short-Range Interactions and Orbital Expansions". En Molecular Electronic-Structure Theory, 256–86. Chichester, UK: John Wiley & Sons, Ltd, 2014. http://dx.doi.org/10.1002/9781119019572.ch7.
Texto completoActas de conferencias sobre el tema "Hückel molecular orbital theory"
Jones, Inke, Tamath J. Rainsford, Samuel P. Mickan y Derek Abbott. "Ab initio molecular orbital theory: a tool for THz spectroscopic investigation". En Microelectronics, MEMS, and Nanotechnology, editado por Derek Abbott, Yuri S. Kivshar, Halina H. Rubinsztein-Dunlop y Shanhui Fan. SPIE, 2005. http://dx.doi.org/10.1117/12.638131.
Texto completoDincer, S., M. S. Dincer, H. Duzkaya y S. S. Tezcan. "Analysis of Molecular Orbital Properties of SF6 with Density Functional Theory (DFT)". En 2019 3rd International Symposium on Multidisciplinary Studies and Innovative Technologies (ISMSIT). IEEE, 2019. http://dx.doi.org/10.1109/ismsit.2019.8932772.
Texto completoKadoya, Ryushi, Mitsuki Fujimori, Ryosuke Takeda, Tatsuro Mizushima, Noriyuki Kurita, Pharit Kamsri, Pijittra Meewong y Pornpan Pungpo. "Specific interactions between M. tuberculosis CYP130 and its inhibitors: Molecular simulations using ab initio fragment molecular orbital method". En 2016 International Conference On Advanced Informatics: Concepts, Theory And Application (ICAICTA). IEEE, 2016. http://dx.doi.org/10.1109/icaicta.2016.7803092.
Texto completoDong, Yanhua, Yanfeng Song, Hakima Abou-Rachid, Dong-Qing Wei y Xi-Jun Wang. "Decomposition Mechanism Studies of Energetic Molecules Using HOMO and LUMO Orbital Energy Driven Molecular Dynamics". En THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY—2008. AIP, 2009. http://dx.doi.org/10.1063/1.3108386.
Texto completoTomioka, Shogo, Haruki Sougawa, Hiromi Ishimura, Akisumi Okamoto, Noriyuki Kurita, Sergiy Shulga, Pavel Karpov y Yaroslav Blume. "Molecular dynamics and ab initio molecular orbital calculations on conformational change of amyloid-ß monomers in an in vivo amyloid-ß nonamer". En 2017 International Conference on Advanced Informatics, Concepts, Theory, and Applications (ICAICTA). IEEE, 2017. http://dx.doi.org/10.1109/icaicta.2017.8090992.
Texto completoSenjaya, Deriyan, Ananto A. Prabowo y Ronald Hartanto. "The study of roselle flower (Hibiscus sabdariffa L.) antioxidants reactivity based on Frontier Molecular Orbital (FMO) theory". En THE 8TH INTERNATIONAL CONFERENCE AND WORKSHOP ON BASIC AND APPLIED SCIENCE (ICOWOBAS) 2021. AIP Publishing, 2023. http://dx.doi.org/10.1063/5.0103686.
Texto completoMaruizumi, Takuya, Jiro Ushio y Masanobu Miyao. "Molecular Orbital Theory Examination into the Improvement of Gate Oxide Integrity with the Incorporation of Nitrogen and Fluorine". En 1997 International Conference on Solid State Devices and Materials. The Japan Society of Applied Physics, 1997. http://dx.doi.org/10.7567/ssdm.1997.a-1-3.
Texto completoIshimura, Hiromi, Ryushi Kadoya, Kanako Shimamura, Shintarou Ota, Mitsuki Fujimori, Akisumi Okamoto, Noriyuki Kurita y Sergiy Shulga. "Ab initio fragment molecular orbital calculations on the specific interactions between amyloid-β peptides in an in vivo amyloid-β fibril". En 2016 International Conference On Advanced Informatics: Concepts, Theory And Application (ICAICTA). IEEE, 2016. http://dx.doi.org/10.1109/icaicta.2016.7803094.
Texto completoCosta, Rogério F., Antônio S. N. Aguiar, Igor D. Borges, Ricardo Ternavisk, Clodoaldo Valverde, Ademir J. Camargo, Delson Braz, Hamilton B. Napolitano y Solemar S. Oliveira. "The influence of Chloride Shift Position on hydroxychlorochalcone". En VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202037.
Texto completoTan, X. Q. y D. W. Pratt. "Rotationally resolved electronic spectra of 1- and 2-methylnaphthalene". En OSA Annual Meeting. Washington, D.C.: Optica Publishing Group, 1990. http://dx.doi.org/10.1364/oam.1990.tuy37.
Texto completoInformes sobre el tema "Hückel molecular orbital theory"
Anderson, Alfred B., Paul Shiller, Eugene A. Zarate, Claire A. Tessier-Youngs y Wiley J. Youngs. Bonding in Transition Metal Silyl Dimers. Molecular Orbital Theory. Fort Belvoir, VA: Defense Technical Information Center, mayo de 1989. http://dx.doi.org/10.21236/ada208269.
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