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Статті в журналах з теми "Hückel molecular orbital theory"
MORALES-BAYUELO, ALEJANDRO, JUAN TORRES, and 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, no. 01 (February 2012): 223–39. http://dx.doi.org/10.1142/s0219633612500150.
Повний текст джерелаGrado-Caffaro, M. A., and M. Grado-Caffaro. "A Molecular-Orbital Model for Amorphous Group IV Semiconductors." Active and Passive Electronic Components 20, no. 1 (1997): 41–44. http://dx.doi.org/10.1155/1997/65485.
Повний текст джерелаWolfe, Saul, Zheng Shi, C. E. Brion, James Rolke, Yenyou Zheng, Glyn Cooper, Delano P. Chong, and 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, no. 3 (March 1, 2002): 222–27. http://dx.doi.org/10.1139/v01-201.
Повний текст джерелаSharma, Brahama D. "Molecular Orbital (Hückel) Theory and Linus Pauling: A Historical Perspective." Journal of Chemical Education 73, no. 8 (August 1996): 746. http://dx.doi.org/10.1021/ed073p746.
Повний текст джерелаLangler, Richard Francis, та Laura Precedo. "On the possibilities of π-ylides". Canadian Journal of Chemistry 68, № 6 (1 червня 1990): 939–41. http://dx.doi.org/10.1139/v90-146.
Повний текст джерелаRashed, Effat A. "Calculations of Constant-Height STM Images of Fullerene C60 Adsorbed onto a Surface." Journal of Spectroscopy 2023 (June 21, 2023): 1–7. http://dx.doi.org/10.1155/2023/8841630.
Повний текст джерелаTeschmit, Grit, P. Strauch, A. Barthel, J. Reinhold, and 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, no. 7 (July 1, 1999): 832–38. http://dx.doi.org/10.1515/znb-1999-0702.
Повний текст джерелаDumont, Randall S. "Effects of charging and polarization on molecular conduction via the source-sink potential method." Canadian Journal of Chemistry 92, no. 2 (February 2014): 100–111. http://dx.doi.org/10.1139/cjc-2013-0227.
Повний текст джерелаChauvin, Remi, Christine Lepetit, Valérie Maraval, and Léo Leroyer. "Variation of aromaticity by twisting or expanding the ring content." Pure and Applied Chemistry 82, no. 4 (March 26, 2010): 769–800. http://dx.doi.org/10.1351/pac-con-09-11-07.
Повний текст джерелаLitofsky, Joshua, and Rama Viswanathan. "Introduction to Computational Chemistry: Teaching Hückel Molecular Orbital Theory Using an Excel Workbook for Matrix Diagonalization." Journal of Chemical Education 92, no. 2 (November 20, 2014): 291–95. http://dx.doi.org/10.1021/ed500376q.
Повний текст джерелаДисертації з теми "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/.
Повний текст джерелаZimmerman, 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.
Повний текст джерелаID: 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.
Повний текст джерелаYu, 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.
Повний текст джерелаGraham, 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.
Повний текст джерелаJen, 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.
Повний текст джерелаDinsmore, 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.
Повний текст джерелаMoncrieff, 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.
Повний текст джерелаSmith, 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.
Повний текст джерелаSonnenberg, 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.
Повний текст джерелаTitle 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
Книги з теми "Hückel molecular orbital theory"
Antony, Nechvatal, ed. Pictorial orbital theory. London: Pitman, 1985.
Знайти повний текст джерелаTedder, John M. Pictorial orbital theory. London: Pitman, 1985.
Знайти повний текст джерелаJ, Hehre Warren, ed. Ab initio molecular orbital theory. New York: Wiley, 1986.
Знайти повний текст джерелаAlbright, Thomas A. Problems in molecular orbital theory. New York: Oxford University Press, 1992.
Знайти повний текст джерелаUdagawa, Taro. Multi-component molecular orbital theory. New York: Nova Science Publishers, 2009.
Знайти повний текст джерелаUdagawa, Taro. Multi-component molecular orbital theory. Hauppauge, N.Y: Nova Science Publishers, 2008.
Знайти повний текст джерелаDias, 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.
Повний текст джерелаDias, Jerry Ray. Molecular orbital calculations using chemical graph theory. Berlin: Springer-Verlag, 1993.
Знайти повний текст джерелаOrbital interaction theory of organic chemistry. New York: Wiley, 1994.
Знайти повний текст джерелаOrbital interaction theory of organic chemistry. 2nd ed. New York: Wiley-Interscience, 2001.
Знайти повний текст джерелаЧастини книг з теми "Hückel molecular orbital theory"
Prasad, Ram Yatan, and Pranita. "Hückel Molecular Orbital Theory/Method." In Computational Quantum Chemistry, 563–645. 2nd ed. Second edition. | Boca Raton : CRC Press, 2021.: CRC Press, 2021. http://dx.doi.org/10.1201/9781003133605-13.
Повний текст джерелаCvetković, Dragoš. "Characterizing properties of some graph invariants related to electron charges in the Hückel molecular orbital theory." In Discrete Mathematical Chemistry, 79–84. Providence, Rhode Island: American Mathematical Society, 2000. http://dx.doi.org/10.1090/dimacs/051/06.
Повний текст джерелаRousseau, Roger, and Stephen Lee. "Topological Control of Molecular Orbital Theory: A Comparison of µ2-Scaled Hückel Theory and Restricted Hartree-Fock Theory for Boranes and Carboranes." In Graph Theoretical Approaches to Chemical Reactivity, 73–108. Dordrecht: Springer Netherlands, 1994. http://dx.doi.org/10.1007/978-94-011-1202-4_3.
Повний текст джерелаHelgaker, Trygve, Poul Jørgensen, and Jeppe Olsen. "Orbital Rotations." In Molecular Electronic-Structure Theory, 80–106. Chichester, UK: John Wiley & Sons, Ltd, 2014. http://dx.doi.org/10.1002/9781119019572.ch3.
Повний текст джерелаYasui, Jun. "Algebraic Molecular Orbital Theory". У 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.
Повний текст джерелаKazansky, L. R. "Physical Methods in Studying Polyoxometalates: Extended HÜCkel Molecular Orbital Calculations and Spectroscopic Properties." In Polyoxometalate Molecular Science, 175–209. Dordrecht: Springer Netherlands, 2003. http://dx.doi.org/10.1007/978-94-010-0091-8_5.
Повний текст джерелаJohnson, Adam R., and Chip Nataro. "Teaching Molecular Orbital Theory Better." In ACS Symposium Series, 47–63. Washington, DC: American Chemical Society, 2020. http://dx.doi.org/10.1021/bk-2020-1370.ch005.
Повний текст джерелаAnderson, Alfred B. "Molecular Orbital Theory of Surfaces." In The Handbook of Surface Imaging and Visualization, 465–72. Boca Raton: CRC Press, 2022. http://dx.doi.org/10.1201/9780367811815-33.
Повний текст джерелаJug, K., and M. S. Gopinathan. "Valence in Molecular Orbital Theory." In 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.
Повний текст джерелаHelgaker, Trygve, Poul Jørgensen, and Jeppe Olsen. "Short-Range Interactions and Orbital Expansions." In Molecular Electronic-Structure Theory, 256–86. Chichester, UK: John Wiley & Sons, Ltd, 2014. http://dx.doi.org/10.1002/9781119019572.ch7.
Повний текст джерелаТези доповідей конференцій з теми "Hückel molecular orbital theory"
Jones, Inke, Tamath J. Rainsford, Samuel P. Mickan, and Derek Abbott. "Ab initio molecular orbital theory: a tool for THz spectroscopic investigation." In Microelectronics, MEMS, and Nanotechnology, edited by Derek Abbott, Yuri S. Kivshar, Halina H. Rubinsztein-Dunlop, and Shanhui Fan. SPIE, 2005. http://dx.doi.org/10.1117/12.638131.
Повний текст джерелаDincer, S., M. S. Dincer, H. Duzkaya, and S. S. Tezcan. "Analysis of Molecular Orbital Properties of SF6 with Density Functional Theory (DFT)." In 2019 3rd International Symposium on Multidisciplinary Studies and Innovative Technologies (ISMSIT). IEEE, 2019. http://dx.doi.org/10.1109/ismsit.2019.8932772.
Повний текст джерелаKadoya, Ryushi, Mitsuki Fujimori, Ryosuke Takeda, Tatsuro Mizushima, Noriyuki Kurita, Pharit Kamsri, Pijittra Meewong, and Pornpan Pungpo. "Specific interactions between M. tuberculosis CYP130 and its inhibitors: Molecular simulations using ab initio fragment molecular orbital method." In 2016 International Conference On Advanced Informatics: Concepts, Theory And Application (ICAICTA). IEEE, 2016. http://dx.doi.org/10.1109/icaicta.2016.7803092.
Повний текст джерелаDong, Yanhua, Yanfeng Song, Hakima Abou-Rachid, Dong-Qing Wei, and Xi-Jun Wang. "Decomposition Mechanism Studies of Energetic Molecules Using HOMO and LUMO Orbital Energy Driven Molecular Dynamics." In THEORY AND APPLICATIONS OF COMPUTATIONAL CHEMISTRY—2008. AIP, 2009. http://dx.doi.org/10.1063/1.3108386.
Повний текст джерелаTomioka, Shogo, Haruki Sougawa, Hiromi Ishimura, Akisumi Okamoto, Noriyuki Kurita, Sergiy Shulga, Pavel Karpov, and Yaroslav Blume. "Molecular dynamics and ab initio molecular orbital calculations on conformational change of amyloid-ß monomers in an in vivo amyloid-ß nonamer." In 2017 International Conference on Advanced Informatics, Concepts, Theory, and Applications (ICAICTA). IEEE, 2017. http://dx.doi.org/10.1109/icaicta.2017.8090992.
Повний текст джерелаSenjaya, Deriyan, Ananto A. Prabowo, and Ronald Hartanto. "The study of roselle flower (Hibiscus sabdariffa L.) antioxidants reactivity based on Frontier Molecular Orbital (FMO) theory." In THE 8TH INTERNATIONAL CONFERENCE AND WORKSHOP ON BASIC AND APPLIED SCIENCE (ICOWOBAS) 2021. AIP Publishing, 2023. http://dx.doi.org/10.1063/5.0103686.
Повний текст джерелаMaruizumi, Takuya, Jiro Ushio, and Masanobu Miyao. "Molecular Orbital Theory Examination into the Improvement of Gate Oxide Integrity with the Incorporation of Nitrogen and Fluorine." In 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.
Повний текст джерелаIshimura, Hiromi, Ryushi Kadoya, Kanako Shimamura, Shintarou Ota, Mitsuki Fujimori, Akisumi Okamoto, Noriyuki Kurita та Sergiy Shulga. "Ab initio fragment molecular orbital calculations on the specific interactions between amyloid-β peptides in an in vivo amyloid-β fibril". У 2016 International Conference On Advanced Informatics: Concepts, Theory And Application (ICAICTA). IEEE, 2016. http://dx.doi.org/10.1109/icaicta.2016.7803094.
Повний текст джерелаCosta, Rogério F., Antônio S. N. Aguiar, Igor D. Borges, Ricardo Ternavisk, Clodoaldo Valverde, Ademir J. Camargo, Delson Braz, Hamilton B. Napolitano, and Solemar S. Oliveira. "The influence of Chloride Shift Position on hydroxychlorochalcone." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol202037.
Повний текст джерелаTan, X. Q., and D. W. Pratt. "Rotationally resolved electronic spectra of 1- and 2-methylnaphthalene." In OSA Annual Meeting. Washington, D.C.: Optica Publishing Group, 1990. http://dx.doi.org/10.1364/oam.1990.tuy37.
Повний текст джерелаЗвіти організацій з теми "Hückel molecular orbital theory"
Anderson, Alfred B., Paul Shiller, Eugene A. Zarate, Claire A. Tessier-Youngs, and Wiley J. Youngs. Bonding in Transition Metal Silyl Dimers. Molecular Orbital Theory. Fort Belvoir, VA: Defense Technical Information Center, May 1989. http://dx.doi.org/10.21236/ada208269.
Повний текст джерела