Literatura académica sobre el tema "Valence (theoretical chemistry)"
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Artículos de revistas sobre el tema "Valence (theoretical chemistry)"
McWeeney, Roy. "Theoretical chemistry: Back to the valence bond". Nature 323, n.º 6090 (octubre de 1986): 666–67. http://dx.doi.org/10.1038/323666a0.
Texto completoKefalidis, Christos E., Alistair S. P. Frey, S. Mark Roe, F. Geoffrey N. Cloke y Laurent Maron. "Formation of cyanates in low-valent uranium chemistry: a synergistic experimental/theoretical study". Dalton Trans. 43, n.º 29 (2014): 11202–8. http://dx.doi.org/10.1039/c4dt00618f.
Texto completoKolditz, L. "Transition Metal Chemistry — The Valence Shell in d-Block Chemistry". Zeitschrift für Physikalische Chemie 190, Part_2 (enero de 1995): 309–10. http://dx.doi.org/10.1524/zpch.1995.190.part_2.309a.
Texto completoCao, Zexing, Wei Wu y Qianer Zhang. "Valence bond theoretical study for chemical reactivity". Science in China Series B: Chemistry 41, n.º 6 (diciembre de 1998): 660–69. http://dx.doi.org/10.1007/bf02883029.
Texto completoChong, Delano P. "Theoretical study of the electronic spectra of s-triazine vapour". Canadian Journal of Chemistry 87, n.º 8 (agosto de 2009): 1148–53. http://dx.doi.org/10.1139/v09-084.
Texto completoHimmel, Hans-Jörg. "Valence tautomerism in copper coordination chemistry". Inorganica Chimica Acta 481 (septiembre de 2018): 56–68. http://dx.doi.org/10.1016/j.ica.2017.07.069.
Texto completoSleight, Arthur W. "Valency, valence degeneracy, ferroelectricity, and superconductivity". Progress in Solid State Chemistry 37, n.º 4 (diciembre de 2009): 251–61. http://dx.doi.org/10.1016/j.progsolidstchem.2010.08.001.
Texto completoKosmas, Agnie Mylona. "Theoretical Investigation of Halogen-Oxygen Bonding and Its Implications in Halogen Chemistry and Reactivity". Bioinorganic Chemistry and Applications 2007 (2007): 1–9. http://dx.doi.org/10.1155/2007/46393.
Texto completoHuzinaga, Sigeru. "1994 Polanyi Award Lecture Concept of active electrons in chemistry". Canadian Journal of Chemistry 73, n.º 5 (1 de mayo de 1995): 619–28. http://dx.doi.org/10.1139/v95-080.
Texto completoXu, Zijian, Jiaguang Han, Zhiyuan Zhu y Wei Zhang. "Valence ofD5hC50Fullerene". Journal of Physical Chemistry A 111, n.º 4 (febrero de 2007): 656–65. http://dx.doi.org/10.1021/jp064500b.
Texto completoTesis sobre el tema "Valence (theoretical chemistry)"
McAdon, Mark Herbert Goddard William A. "New concepts of metallic bonding". Diss., Pasadena, Calif. : California Institute of Technology, 1988. http://resolver.caltech.edu/CaltechTHESIS:10302009-113153689.
Texto completoAdvisor names found in the Acknowledgments pages of the thesis. Title from home page. Viewed 01/20/2010. Includes bibliographical references.
Zhao, Xiaodong. "Studies of extended cyanines and related mixed valence compounds". Diss., Georgia Institute of Technology, 1995. http://hdl.handle.net/1853/28001.
Texto completoYing, Fuming. "Application and development of quantum chemical methods. Density functional theory and valence bond theory". Licentiate thesis, KTH, Teoretisk kemi, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-25033.
Texto completoQC 20101006
Risko, Chad Michael. "Theoretical Evaluations of Electron-Transfer Processes in Organic Semiconductors". Diss., Georgia Institute of Technology, 2005. http://hdl.handle.net/1853/7272.
Texto completoHaynes, Matthew y n/a. "Low Energy (e,2e) Studies of Inner Valence Ionization". Griffith University. Centre for Quantum Dynamics, 2002. http://www4.gu.edu.au:8080/adt-root/public/adt-QGU20050902.142912.
Texto completoStoltzfus, Matthew W. "Structure-property relationships in solid state materials a computational approach emphasizing chemical bonding /". Columbus, Ohio : Ohio State University, 2007. http://rave.ohiolink.edu/etdc/view?acc%5Fnum=osu1190087366.
Texto completoFeierberg, Isabella. "Computational Studies of Enzymatic Enolization Reactions and Inhibitor Binding to a Malarial Protease". Doctoral thesis, Uppsala universitet, Institutionen för cell- och molekylärbiologi, 2003. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-3335.
Texto completoBjelic, Sinisa. "Molecular Simulation of Enzyme Catalysis and Inhibition". Doctoral thesis, Uppsala : Acta Universitatis Upsaliensis, 2007. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-7468.
Texto completoKazemi, Masoud. "Calculations of Reaction Mechanisms and Entropic Effects in Enzyme Catalysis". Doctoral thesis, Uppsala universitet, Beräkningsbiologi och bioinformatik, 2017. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-316497.
Texto completoVaret, Adrien. "Programmation par contraintes et chimie théorique : utilisation du formalisme CSP pour résoudre des problématiques liées aux benzénoïdes". Electronic Thesis or Diss., Aix-Marseille, 2022. http://www.theses.fr/2022AIXM0508.
Texto completoConstraint programming (CP) is a branch of artificial intelligence that appeared in the 1970s. It focuses on solving highly combinatorial problems (at least NP-complete). PPC is based on different formalisms. In the context of this thesis, we focus on that of constraint satisfaction problems (CSP) which consists in representing the problem by a set of variables, each having a set of values that it can take (called domain). These variables will be linked together by constraints. The objective here is to find an assignment of all the variables that will respect all the constraints.Polycyclic aromatic hydrocarbons (PAHs) are molecules made up solely of carbons and hydrogens whose carbon atoms form fused rings of different sizes. These molecules have unusual properties (energy stability, molecular structure, etc.) and are studied in many fields (astrochemistry, materials science, etc.). Benzenoids are a subfamily of PAHs and are only made up of 6-carbon rings (hence hexagons).In this work, we are interested in two issues related to benzenoids: the exhaustive generation of all benzenoid structures satisfying a given set of properties on the one hand, and the determination of their aromaticity on the other hand. Aromaticity is a notion induced by the delocalization of PAH electrons. This thesis presents, among other things, ways to solve these problems using PPC
Libros sobre el tema "Valence (theoretical chemistry)"
Hobza, Pavel. Non-covalent interactions. Cambridge: Royal Society of Chemistry, 2009.
Buscar texto completoR, Langhoff Stephen, Taylor Peter R y United States. National Aeronautics and Space Administration., eds. Core-core and core-valence correlation. [Washington, DC: National Aeronautics and Space Administration, 1988.
Buscar texto completoR, Langhoff Stephen, Taylor Peter R y United States. National Aeronautics and Space Administration., eds. Core-core and core-valence correlation. [Washington, DC: National Aeronautics and Space Administration, 1988.
Buscar texto completoNovitski, Mary Eunice. Auguste Laurent and the prehistory of valence. Chur, Switzerland: Harwood Academic, 1992.
Buscar texto completoRobert A. Welch Foundation Conference on Chemical Research (32nd 1988 Houston, Tex.). Vale ncy: The Robert a. Welsch Foundation Conference on Chemical Research : October 31-November 2, 1988, the Westin Oaks Hotel, Houston, Texas. Houston, TX: Robert A. Welch Foundation, 1988.
Buscar texto completoTurovsʹkyĭ, A. A. Non-valency interaction in organic peroxides homolysis reactions. Hauppauge, N.Y: Nova Science Publishers, 2011.
Buscar texto completoHanekamp, Gerd. Protochemie: Vom Stoff zur Valenz. Würzburg: Königshausen & Neumann, 1997.
Buscar texto completoNATO Advanced Workshop on Mixed Valency Compounds: Applications in Chemistry, Physics, and Biology (1990 Hagia Pelagia, Greece). Mixed valency systems: Applications in chemistry, physics, and biology. Dordrecht: Kluwer Academic Publishers, 1991.
Buscar texto completoC, Gupta L. y Malik S. K, eds. Theoretical and experimental aspects of valence fluctuations and heavy fermions. New York: Plenum Press, 1987.
Buscar texto completoEpiotis, N. D. Deciphering the chemical code: Bonding across the periodic table. New York: VCH, 1996.
Buscar texto completoCapítulos de libros sobre el tema "Valence (theoretical chemistry)"
Rao, C. N. R. "Mixed Valence in Chemistry". En Theoretical and Experimental Aspects of Valence Fluctuations and Heavy Fermions, 235–42. Boston, MA: Springer US, 1987. http://dx.doi.org/10.1007/978-1-4613-0947-5_27.
Texto completoKaradakov, Peter B. y David L. Cooper. "Modern valence-bond description of aromatic annulene ions". En Highlights in Theoretical Chemistry, 123–30. Berlin, Heidelberg: Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-662-47051-0_11.
Texto completoWu, Wei, Huaiyu Zhang, Benoît Braïda, Sason Shaik y Philippe C. Hiberty. "The V state of ethylene: valence bond theory takes up the challenge". En Highlights in Theoretical Chemistry, 101–13. Berlin, Heidelberg: Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-662-47051-0_9.
Texto completoBonnelle, C. "Core and Valence Electron Distributions in Heavy Elements by X-Ray and Electron Spectroscopy". En Theoretical Chemistry and Physics of Heavy and Superheavy Elements, 115–70. Dordrecht: Springer Netherlands, 2003. http://dx.doi.org/10.1007/978-94-017-0105-1_4.
Texto completoBlondin, G. y J. J. Girerd. "Magnetic and Optical Phenomena in Biological Iron-Sulfur Mixed Valence Complexes and Their Chemical Models. A Theoretical Approach". En Mixed Valency Systems: Applications in Chemistry, Physics and Biology, 119–35. Dordrecht: Springer Netherlands, 1991. http://dx.doi.org/10.1007/978-94-011-3606-8_8.
Texto completoKefalidis, Christos E., Ludovic Castro, Ahmed Yahia, Lionel Perrin y Laurent Maron. "Theoretical Treatment of the Redox Chemistry of Low Valent Lanthanide and Actinide Complexes". En Computational Methods in Lanthanide and Actinide Chemistry, 343–73. Chichester, UK: John Wiley & Sons Ltd, 2015. http://dx.doi.org/10.1002/9781118688304.ch13.
Texto completoMcDouall, Joseph J. W. "The Biorthogonal Valence Bond Method". En Theoretical and Computational Chemistry, 227–59. Elsevier, 2002. http://dx.doi.org/10.1016/s1380-7323(02)80009-7.
Texto completoSchmalz, T. G. "A valence bond view of fullerenes". En Theoretical and Computational Chemistry, 535–64. Elsevier, 2002. http://dx.doi.org/10.1016/s1380-7323(02)80018-8.
Texto completoRamasesha, S. y Z. G. Soos. "Valence Bond Theory of Quantum Cell Models". En Theoretical and Computational Chemistry, 635–97. Elsevier, 2002. http://dx.doi.org/10.1016/s1380-7323(02)80021-8.
Texto completoKlein, D. J. "Advances in many-body valence-bond theory". En Theoretical and Computational Chemistry, 403–21. Elsevier, 1999. http://dx.doi.org/10.1016/s1380-7323(99)80016-8.
Texto completoActas de conferencias sobre el tema "Valence (theoretical chemistry)"
Saji, Genn. "Radiation-Induced Electrolytic Corrosion of LWRS: (Part 1) — Basic Mechanism and Implications in Degradation Phenomena". En 2016 24th International Conference on Nuclear Engineering. American Society of Mechanical Engineers, 2016. http://dx.doi.org/10.1115/icone24-60894.
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