Artículos de revistas sobre el tema "Valence (theoretical chemistry)"
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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 completoColman, Ross H., H. Esma Okur, Winfried Kockelmann, Craig M. Brown, Annette Sans, Claudia Felser, Martin Jansen y Kosmas Prassides. "Elusive Valence Transition in Mixed-Valence Sesquioxide Cs4O6". Inorganic Chemistry 58, n.º 21 (21 de octubre de 2019): 14532–41. http://dx.doi.org/10.1021/acs.inorgchem.9b02122.
Texto completoGlukhovtsev, M. N. y B. Ya Simkin. "Structure and valence isomerization of antiaromatic molecules XI. Theoretical investigation of the valence isomerizations of cyclobutadiyne". Journal of Structural Chemistry 28, n.º 6 (1988): 834–40. http://dx.doi.org/10.1007/bf00745252.
Texto completoFabian, Jürgen y Peter Birner. "A theoretical study of the disulfide/dithione valence isomerism". Collection of Czechoslovak Chemical Communications 53, n.º 9 (1988): 2096–115. http://dx.doi.org/10.1135/cccc19882096.
Texto completoWebb, Robert J., Paula M. Hagen, Richard J. Wittebort, Michio Sorai y David N. Hendrickson. "Valence detrapping in mixed-valence biferrocenes: evidence for phase transitions". Inorganic Chemistry 31, n.º 10 (mayo de 1992): 1791–801. http://dx.doi.org/10.1021/ic00036a015.
Texto completoHe, Bing, Bingke Li y Hongwei Zhou. "Theoretical Study on Pyramidal C7N6–H3R3 Molecules". Australian Journal of Chemistry 72, n.º 7 (2019): 501. http://dx.doi.org/10.1071/ch19015.
Texto completoHiberty, Philippe C. "Thinking and computing valence bond in organic chemistry". Journal of Molecular Structure: THEOCHEM 451, n.º 3 (octubre de 1998): 237–61. http://dx.doi.org/10.1016/s0166-1280(98)00208-5.
Texto completoFillaux, Clara, Jean-Claude Berthet, Steven D. Conradson, Philippe Guilbaud, Dominique Guillaumont, C. Hennig, Philippe Moisy et al. "Combining theoretical chemistry and XANES multi-edge experiments to probe actinide valence states". Comptes Rendus Chimie 10, n.º 10-11 (octubre de 2007): 859–71. http://dx.doi.org/10.1016/j.crci.2006.12.012.
Texto completoA.H. "Valence bond theory and chemical structure. Studies in physical and theoretical chemistry 64". Journal of Molecular Structure: THEOCHEM 226, n.º 3-4 (enero de 1991): 358. http://dx.doi.org/10.1016/0166-1280(91)85015-y.
Texto completoPan, Sudip y Gernot Frenking. "A Critical Look at Linus Pauling’s Influence on the Understanding of Chemical Bonding". Molecules 26, n.º 15 (3 de agosto de 2021): 4695. http://dx.doi.org/10.3390/molecules26154695.
Texto completoXiao, Cui-Ping, Wen-Zuo Li, Qing-Zhong Li y Jian-Bo Cheng. "Theoretical prediction on the structures of the HMgN- and HNMg- anions using multiconfigurational methods". Journal of the Serbian Chemical Society 79, n.º 2 (2014): 167–73. http://dx.doi.org/10.2298/jsc130412044x.
Texto completoBockisch, F., J. C. Rayez, H. Dreeskamp, D. Liotard y B. Duguay. "Theoretical studies of [n]paracyclophanes and their valence isomers". Theoretica Chimica Acta 85, n.º 1-3 (marzo de 1993): 69–86. http://dx.doi.org/10.1007/bf01374578.
Texto completoHu, Yong-Feng, G. Michael Bancroft, Kim H. Tan, John S. Tse y Dong-Sheng Yang. "Variable-energy photoelectron spectroscopy of CpM(CO)3 (M = Mn, Re) and CpFe(CO)2I". Canadian Journal of Chemistry 74, n.º 11 (1 de noviembre de 1996): 2240–49. http://dx.doi.org/10.1139/v96-252.
Texto completoTomin, Vladimir I. "Opportunities to use interactive tasks in chemistry within the Middle Years Programme (basic school) of the International Baccalaureate". RUDN Journal of Informatization in Education 17, n.º 4 (15 de diciembre de 2020): 337–48. http://dx.doi.org/10.22363/2312-8631-2020-17-4-337-348.
Texto completoChen, Zhenhua, Jinshuai Song, Sason Shaik, Philippe C. Hiberty y Wei Wu. "Valence Bond Perturbation Theory. A Valence Bond Method That Incorporates Perturbation Theory†". Journal of Physical Chemistry A 113, n.º 43 (29 de octubre de 2009): 11560–69. http://dx.doi.org/10.1021/jp903011j.
Texto completoHermosilla-Ibáñez, Patricio, Kerry Wrighton-Araneda, Laura Scarpetta-Pizo, Walter Cañón-Mancisidor, Marlen Gutierrez-Cutiño, Eric Le Fur, Verónica Paredes-García y Diego Venegas-Yazigi. "The origin of the electronic transitions of mixed valence polyoxovanadoborates [V12B18O60]: from an experimental to a theoretical understanding". New Journal of Chemistry 43, n.º 45 (2019): 17538–47. http://dx.doi.org/10.1039/c9nj02549a.
Texto completoEhara, Masahiro, Mayumi Ishida y Hiroshi Nakatsuji. "Theoretical Fine Spectroscopy with SAC-CI Method: Outer- and Inner-Valence Ionization Spectra of CO and N2". Collection of Czechoslovak Chemical Communications 70, n.º 7 (2005): 881–904. http://dx.doi.org/10.1135/cccc20050881.
Texto completoQiu, Rulin y Jun Zhu. "Adaptive aromaticity in 16-valence-electron metallazapentalenes". Dalton Transactions 50, n.º 45 (2021): 16842–48. http://dx.doi.org/10.1039/d1dt03244e.
Texto completoBock, Charles W., Philip George, John J. Stezowski y Jenny P. Glusker. "Theoretical studies of the benzene oxide?oxepin valence tautomerism". Structural Chemistry 1, n.º 1 (enero de 1990): 33–39. http://dx.doi.org/10.1007/bf00675782.
Texto completoJansen, Helen, J. Chris Slootweg, Andreas W. Ehlers y Koop Lammertsma. "Valence Isomerization of Phosphepines†". Organometallics 29, n.º 24 (27 de diciembre de 2010): 6653–59. http://dx.doi.org/10.1021/om1004379.
Texto completoGrekov, F. F. "Structure of valence crystals". Journal of Structural Chemistry 27, n.º 1 (1986): 87–91. http://dx.doi.org/10.1007/bf00763574.
Texto completoKoropchanu, V. P., M. E. Guerrero y V. Ya Gamurar'. "Group-theoretical classification of the resonance states of mixed-valence clusters". Journal of Structural Chemistry 36, n.º 4 (julio de 1995): 673–77. http://dx.doi.org/10.1007/bf02578663.
Texto completoWan, Hongliu, Xing-Wu Liu, Ming Qing, Jin-Jia Liu, Yu Zhang, Suyao Liu, Hong Wang, Xiao-Dong Wen, Yong Yang y Yong-Wang Li. "Insight into the magnetic moment of iron borides: theoretical consideration from the local coordinative and electronic environment". Dalton Transactions 49, n.º 7 (2020): 2168–75. http://dx.doi.org/10.1039/c9dt04193a.
Texto completoZhang, Feng-Yu, Sicheng Liu, Anwei Huang, Yi-Ning Li, Xiao-Yan Liu y Peng Zhang. "A Theoretical Analysis of the Differential Chemical Reaction Results Caused by Chirality Induction". Molecules 28, n.º 17 (28 de agosto de 2023): 6286. http://dx.doi.org/10.3390/molecules28176286.
Texto completoNakashima, Satoru, Masahiro Kai y Masanobu Watanabe. "Intermediate mixed-valence state between the valence-trapped and valence-detrapped states in 1′,1‴-bis(3-phenylpropyl)-1,1″-biferrocenium triiodide". Inorganic Chemistry Communications 2, n.º 8 (agosto de 1999): 341–43. http://dx.doi.org/10.1016/s1387-7003(99)00082-9.
Texto completoBüchler, Stefan, René Monnier, Leo Degiorgi y Louis Schlapbach. "Valence Transition in Yb Hydrides*". Zeitschrift für Physikalische Chemie 163, Part_2 (enero de 1989): 579–84. http://dx.doi.org/10.1524/zpch.1989.163.part_2.0579.
Texto completoCooper, D. L., J. Gerratt y M. Raimondi. "Spin-coupled valence bond theory". International Reviews in Physical Chemistry 7, n.º 1 (enero de 1988): 59–80. http://dx.doi.org/10.1080/01442358809353205.
Texto completoHiberty, Philippe C. y Sason Shaik. "Breathing-orbital valence bond method - a modern valence bond method that includes dynamic correlation". Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 108, n.º 5 (1 de noviembre de 2002): 255–72. http://dx.doi.org/10.1007/s00214-002-0364-8.
Texto completoRzepiela, Kacper, Jakub Kaminský, Aneta Buczek, Małgorzata A. Broda y Teobald Kupka. "Electron Correlation or Basis Set Quality: How to Obtain Converged and Accurate NMR Shieldings for the Third-Row Elements?" Molecules 27, n.º 23 (25 de noviembre de 2022): 8230. http://dx.doi.org/10.3390/molecules27238230.
Texto completoBiasin, Elisa, Daniel R. Nascimento, Benjamin I. Poulter, Baxter Abraham, Kristjan Kunnus, Angel T. Garcia-Esparza, Stanislaw H. Nowak et al. "Revealing the bonding of solvated Ru complexes with valence-to-core resonant inelastic X-ray scattering". Chemical Science 12, n.º 10 (2021): 3713–25. http://dx.doi.org/10.1039/d0sc06227h.
Texto completoHarcourt, Richard D. "Pseudo one-electron bonds and atomic valencies for some increased-valence and non-paired spatial orbital valence bond structures". Journal of Molecular Structure: THEOCHEM 684, n.º 1-3 (septiembre de 2004): 167–69. http://dx.doi.org/10.1016/j.theochem.2004.04.068.
Texto completoBarresi, Elisabetta, Iogann Tolbatov, Alessandro Pratesi, Valentina Notarstefano, Emma Baglini, Simona Daniele, Sabrina Taliani et al. "A mixed-valence diruthenium(ii,iii) complex endowed with high stability: from experimental evidence to theoretical interpretation". Dalton Transactions 49, n.º 41 (2020): 14520–27. http://dx.doi.org/10.1039/d0dt02527e.
Texto completoKochetov, Vladislav, Md Sabbir Ahsan, Dennis Hein, Iain Wilkinson y Sergey I. Bokarev. "Valence and Core Photoelectron Spectra of Aqueous I3− from Multi-Reference Quantum Chemistry". Molecules 28, n.º 14 (10 de julio de 2023): 5319. http://dx.doi.org/10.3390/molecules28145319.
Texto completoOrti, Enrique y Jean Luc Bredas. "Photoelectron spectra of phthalocyanine thin films: a valence band theoretical interpretation". Journal of the American Chemical Society 114, n.º 22 (octubre de 1992): 8669–75. http://dx.doi.org/10.1021/ja00048a046.
Texto completoLevi, Elena, Doron Aurbach y Carlo Gatti. "Metal–Metal Bond in the Light of Pauling’s Rules". Molecules 26, n.º 2 (8 de enero de 2021): 304. http://dx.doi.org/10.3390/molecules26020304.
Texto completoUmam, Kholid Khairul y Dwi Wahyudiati. "Ethno-chemistry: Relevance Analysis of Electron Valence Subject Material to Sasak Local Wisdom as a Chemistry Learning Resource". Hydrogen: Jurnal Kependidikan Kimia 11, n.º 5 (16 de octubre de 2023): 710. http://dx.doi.org/10.33394/hjkk.v11i5.9069.
Texto completoAbu-Eittah, R. H., M. El-Esawy, N. Ghoneim y A. T. Aly. "A comparative theoretical study of the electronic structure of some nickel(II) azides, thiocyanates, and isothiocyanates". Canadian Journal of Chemistry 76, n.º 7 (1 de julio de 1998): 1006–14. http://dx.doi.org/10.1139/v98-109.
Texto completoRoos, A. Hult, J. H. D. Eland, J. Andersson, R. J. Squibb y R. Feifel. "Dissociations of water ions after valence and inner-valence ionization". Journal of Chemical Physics 149, n.º 20 (28 de noviembre de 2018): 204307. http://dx.doi.org/10.1063/1.5055593.
Texto completoRicha, Muni Rathnam, Akhilesh Kumar, Indresh Verma, Julia Kłak, Joan Cano, Antonio J. Mota, Amit Rajput y Himanshu Arora. "Discrete unusual mixed-bridged trinuclear CoIII2CoII and pentanuclear NiII coordination complexes supported by a phenolate-based ligand: theoretical and experimental magneto-structural study". New Journal of Chemistry 45, n.º 13 (2021): 6053–66. http://dx.doi.org/10.1039/d1nj00228g.
Texto completoMcCusker, James K., Ho G. Jang, Maruta Zvagulis, Walter Ley, Harry G. Drickamer y David N. Hendrickson. "Valence trapping of mixed-valence solvated hexakis(acetato)oxotris(pyridine)triiron complex at high pressure". Inorganic Chemistry 30, n.º 9 (mayo de 1991): 1985–90. http://dx.doi.org/10.1021/ic00009a009.
Texto completoMangione, Giulia, Silvia Carlotto, Mauro Sambi, Giovanni Ligorio, Melanie Timpel, Andrea Vittadini, Marco Vittorio Nardi y Maurizio Casarin. "Electronic structures of CuTPP and CuTPP(F) complexes. A combined experimental and theoretical study I". Physical Chemistry Chemical Physics 18, n.º 28 (2016): 18727–38. http://dx.doi.org/10.1039/c6cp01423b.
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