Artículos de revistas sobre el tema "Ligand field theory"
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Ballhausen, C. J. "Crystal and ligand field theory". International Journal of Quantum Chemistry 5, S5 (18 de junio de 2009): 373–77. http://dx.doi.org/10.1002/qua.560050844.
Texto completoDaul, Claude A. "Ligand Field Theory: An ever-modern theory". Journal of Physics: Conference Series 428 (5 de abril de 2013): 012023. http://dx.doi.org/10.1088/1742-6596/428/1/012023.
Texto completoTatarchuk, T. R., H. O. Sirenko y U. L. Kush. "The Solution of Applied Problems of Complex Compounds with the d-Elements Central Atoms Surrounded by Octahedral Ligand Based on the Theory of Crystal Field". Фізика і хімія твердого тіла 16, n.º 1 (15 de marzo de 2015): 145–54. http://dx.doi.org/10.15330/pcss.16.1.145-154.
Texto completoSastri, V. S., J. R. Perumareddi, M. Lashgari y M. Elboujdaini. "Application of Ligand Field Theory in Corrosion Inhibition". CORROSION 64, n.º 4 (abril de 2008): 283–88. http://dx.doi.org/10.5006/1.3278472.
Texto completoKutzelnigg, Werner. "Hans Bethe (1906-2005) and Ligand Field Theory". Angewandte Chemie International Edition 44, n.º 25 (20 de junio de 2005): 3800–3801. http://dx.doi.org/10.1002/anie.200501634.
Texto completoJohnson, Brian J. y Kate J. Graham. "A Guided Inquiry Activity for Teaching Ligand Field Theory". Journal of Chemical Education 92, n.º 8 (17 de junio de 2015): 1369–72. http://dx.doi.org/10.1021/acs.jchemed.5b00019.
Texto completoSambe, Hideo y Ronald H. Felton. "Connection between the Xα method and ligand field theory". International Journal of Quantum Chemistry 10, S10 (18 de junio de 2009): 155–58. http://dx.doi.org/10.1002/qua.560100816.
Texto completoSchäffer, Claus E. y Jesper Bendix. "Kohn–Sham DFT and ligand-field theory — Is there a synergy?" Canadian Journal of Chemistry 87, n.º 10 (octubre de 2009): 1302–12. http://dx.doi.org/10.1139/v09-061.
Texto completoLang, Lucas, Mihail Atanasov y Frank Neese. "Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory". Journal of Physical Chemistry A 124, n.º 5 (24 de enero de 2020): 1025–37. http://dx.doi.org/10.1021/acs.jpca.9b11227.
Texto completoWissing, K. y J. Degen. "Dynamic ligand-field theory for square planar transition metal complexes". Journal of Molecular Structure: THEOCHEM 431, n.º 1-2 (abril de 1998): 97–107. http://dx.doi.org/10.1016/s0166-1280(97)00433-8.
Texto completoDong-Ping, Ma y Chen Ju-Rong. "Improved Ligand-Field Theory with Effect of Electron-Phonon Interaction". Communications in Theoretical Physics 43, n.º 3 (marzo de 2005): 529–38. http://dx.doi.org/10.1088/0253-6102/43/3/032.
Texto completoGatteschi, D., L. Sorace, R. Sessoli y A. L. Barra. "High-frequency EPR: An occasion for revisiting ligand field theory". Applied Magnetic Resonance 21, n.º 3-4 (diciembre de 2001): 299–310. http://dx.doi.org/10.1007/bf03162409.
Texto completoToader, Ana Maria, Maria Cristina Buta, Fanica Cimpoesu y Adela Mihai. "The Holohedrization Effect in Ligand Field Models". Symmetry 16, n.º 1 (23 de diciembre de 2023): 22. http://dx.doi.org/10.3390/sym16010022.
Texto completoRamanantoanina, Harry, Werner Urland, Amador García-Fuente, Fanica Cimpoesu y Claude Daul. "Ligand field density functional theory for the prediction of future domestic lighting". Phys. Chem. Chem. Phys. 16, n.º 28 (2014): 14625–34. http://dx.doi.org/10.1039/c3cp55521f.
Texto completoMoore, D. J. y G. E. Stedman. "Effects of time-odd electron-phonon coupling in ligand field theory". Journal of Physics: Condensed Matter 2, n.º 11 (19 de marzo de 1990): 2559–77. http://dx.doi.org/10.1088/0953-8984/2/11/005.
Texto completoHassan, M. A., M. Farouk, A. H. Abdullah, I. Kashef y M. M. ElOkr. "ESR and ligand field theory studies of Nd2O3 doped borochoromate glasses". Journal of Alloys and Compounds 539 (octubre de 2012): 233–36. http://dx.doi.org/10.1016/j.jallcom.2012.06.060.
Texto completoTurner, John F. C. "Ligand Field Theory and Its Applications (Figgis, Brian N.; Hitchman, Michael A.)". Journal of Chemical Education 79, n.º 9 (septiembre de 2002): 1072. http://dx.doi.org/10.1021/ed079p1072.2.
Texto completodel Rosal, Iker, Maxime Mercy, Iann C. Gerber y Romuald Poteau. "Ligand-Field Theory-Based Analysis of the Adsorption Properties of Ruthenium Nanoparticles". ACS Nano 7, n.º 11 (9 de octubre de 2013): 9823–35. http://dx.doi.org/10.1021/nn403364p.
Texto completoDeeth, Robert J. "Impact on ligand-field theory of the real ground state for CuCl2". Journal of the Chemical Society, Dalton Transactions, n.º 7 (1993): 1061. http://dx.doi.org/10.1039/dt9930001061.
Texto completoGatteschi, D., L. Sorace, R. Sessoli y A. L. Barra. "ChemInform Abstract: High-Frequency ESR: An Occasion for Revisiting Ligand Field Theory". ChemInform 33, n.º 37 (20 de mayo de 2010): no. http://dx.doi.org/10.1002/chin.200237299.
Texto completoYANG, KUO, YONG SONG y JIAN TANG. "THEORETICAL STUDY ON THE ENERGY SPECTRUM AND PRESSURE SHIFTS OF R1 LINE FOR LiNbO3:Cr3+". Modern Physics Letters B 25, n.º 17 (10 de julio de 2011): 1503–10. http://dx.doi.org/10.1142/s0217984911026899.
Texto completoFeng, Wen-Lin. "Theoretical Investigation of the g Factors for Copper (II) Ion in an Orthorhombic Crystal and its Application to (CuCl4)2– Cluster". Zeitschrift für Naturforschung A 65, n.º 3 (1 de marzo de 2010): 251–62. http://dx.doi.org/10.1515/zna-2010-0315.
Texto completoSakiyama, Hiroshi, Rin Kimura, Haruto Oomiya, Ryoji Mitsuhashi, Sho Fujii, Katsuhiko Kanaizuka, Mohd Muddassir, Yuga Tamaki, Eiji Asato y Makoto Handa. "Relationship between Structure and Zero-Field Splitting of Octahedral Nickel(II) Complexes with a Low-Symmetric Tetradentate Ligand". Magnetochemistry 10, n.º 5 (24 de abril de 2024): 32. http://dx.doi.org/10.3390/magnetochemistry10050032.
Texto completoStoilov, Anton, Borislav Yurukov y Peter Milanov. "Analysis of docking algorithms by HPC methods generated in bioinformatics studies". ITM Web of Conferences 16 (2018): 02009. http://dx.doi.org/10.1051/itmconf/20181602009.
Texto completoLazzarini, Ennio. "An attempt to apply ligand field theory to positronium reactions with 3d complexes". RENDICONTI LINCEI 14, n.º 1 (marzo de 2003): 5–75. http://dx.doi.org/10.1007/bf02915466.
Texto completoHidayat, Yuniawan, Ria Armunanto y Harno Dwi Pranowo. "QMCF-MD Simulation and NBO Analysis of K(I) Ion in Liquid Ammonia". Indonesian Journal of Chemistry 18, n.º 2 (30 de mayo de 2018): 203. http://dx.doi.org/10.22146/ijc.26788.
Texto completoWachters, A. J. H. y W. C. Nieuwpoort. "Crystal field splitting and born repulsion in KNiF3. Contribution to the panel discussion on ligand field theory". International Journal of Quantum Chemistry 5, S5 (18 de junio de 2009): 391–96. http://dx.doi.org/10.1002/qua.560050846.
Texto completoAnthon, Christian, Jesper Bendix y Claus E. Schäffer. "An Average-of-Configuration Method for Using Kohn−Sham Density Functional Theory in Modeling Ligand-Field Theory†". Inorganic Chemistry 42, n.º 13 (junio de 2003): 4088–97. http://dx.doi.org/10.1021/ic0262233.
Texto completoRamanantoanina, Harry, Michał Studniarek, Niéli Daffé y Jan Dreiser. "Non-empirical calculation of X-ray magnetic circular dichroism in lanthanide compounds". Chemical Communications 55, n.º 20 (2019): 2988–91. http://dx.doi.org/10.1039/c8cc09321k.
Texto completoMangione, G., M. Sambi, M. V. Nardi y M. Casarin. "A theoretical study of the L3 pre-edge XAS in Cu(ii) complexes". Phys. Chem. Chem. Phys. 16, n.º 37 (2014): 19852–55. http://dx.doi.org/10.1039/c4cp02441a.
Texto completoSchäffer, Claus E., Christian Anthon y Jesper Bendix. "Bridging Kohn - Sham DFT and the Angular Overlap Model. Ligand-Field Parameters and Bond Covalencies in Tetrahedral Complexes". Australian Journal of Chemistry 62, n.º 10 (2009): 1271. http://dx.doi.org/10.1071/ch09335.
Texto completoChang, Tsu Hsin y Jeffrey I. Zink. "The .sigma. and .pi. interactions of the carbonyl ligand determined from single-crystal polarized electronic spectroscopy and ligand field theory". Journal of the American Chemical Society 109, n.º 3 (febrero de 1987): 692–98. http://dx.doi.org/10.1021/ja00237a009.
Texto completoSacher, E. "Ligand-field theory of inductive effects in the photoelectron spectra of transition-metal compounds". Physical Review B 34, n.º 8 (15 de octubre de 1986): 5130–35. http://dx.doi.org/10.1103/physrevb.34.5130.
Texto completoChan, Yue, Jonathan J. Wylie, Liang Xia, Yong Ren y Yung-Tsang Chen. "Modelling of particle-laden flow inside nanomaterials". Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences 472, n.º 2192 (agosto de 2016): 20160289. http://dx.doi.org/10.1098/rspa.2016.0289.
Texto completoKang-Cheng y Changhua-Zou. "Modeling SARS-CoV-2 and preventing COVID-19 pandemic". Magna Scientia Advanced Research and Reviews 6, n.º 2 (30 de diciembre de 2022): 024–33. http://dx.doi.org/10.30574/msarr.2022.6.2.0077.
Texto completoToader, Ana Maria, Bogdan Frecus, Corneliu Ioan Oprea y Maria Cristina Buta. "Assessing Quantum Calculation Methods for the Account of Ligand Field in Lanthanide Compounds". Physchem 3, n.º 2 (16 de junio de 2023): 270–89. http://dx.doi.org/10.3390/physchem3020019.
Texto completoPadilla, Juan y William E. Hatfield. "σ and π-interactions of the pyrrolic ligand of sandwich-like lanthanide phthalocyanines determined from magnetic susceptibility and ligand-field theory". Inorganica Chimica Acta 172, n.º 2 (junio de 1990): 241–45. http://dx.doi.org/10.1016/s0020-1693(00)80862-2.
Texto completoSaureu, Sergi y Coen de Graaf. "TD-DFT study of the light-induced spin crossover of Fe(iii) complexes". Physical Chemistry Chemical Physics 18, n.º 2 (2016): 1233–44. http://dx.doi.org/10.1039/c5cp06620d.
Texto completoKharwar, Ajit Kumar, Arpan Mondal y Sanjit Konar. "Field Induced Slow Magnetic Relaxation in a Non Kramers Tb(III) Based Single Chain Magnet". Magnetochemistry 4, n.º 4 (19 de diciembre de 2018): 59. http://dx.doi.org/10.3390/magnetochemistry4040059.
Texto completoGarcía-García, Amalia, Andoni Zabala-Lekuona, Ainhoa Goñi-Cárdenas, Javier Cepeda, José M. Seco, Alfonso Salinas-Castillo, Duane Choquesillo-Lazarte y Antonio Rodríguez-Diéguez. "Magnetic and Luminescent Properties of Isostructural 2D Coordination Polymers Based on 2-Pyrimidinecarboxylate and Lanthanide Ions". Crystals 10, n.º 7 (2 de julio de 2020): 571. http://dx.doi.org/10.3390/cryst10070571.
Texto completoKrüger, Peter. "First-Principles Calculation of Ligand Field Parameters for L-Edge Spectra of Transition Metal Sites of Arbitrary Symmetry". Symmetry 15, n.º 2 (10 de febrero de 2023): 472. http://dx.doi.org/10.3390/sym15020472.
Texto completoCortes-Llamas, Sara Angelica, José Miguel Velázquez-López, Irma Idalia Rangel-Salas, Morelia Eunice López-Reyes, Alfredo Rosas-Sánchez, Leticia Lozada-Rodríguez, Gabriela De Jesús Soltero-Reynoso y Saul Gallegos-Castillo. "High- or low-spin complex? A guide to facilitate the selection in Ligand Field Theory". Educación Química 33, n.º 1 (14 de enero de 2022): 41. http://dx.doi.org/10.22201/fq.18708404e.2022.1.78867.
Texto completoSchäffer, Claus E. "Extension of ligand-field theory to encompass bridged structures. Emphasis on the angular overlap model". Inorganica Chimica Acta 300-302 (abril de 2000): 1035–76. http://dx.doi.org/10.1016/s0020-1693(99)00599-x.
Texto completoLueken, Heiko. "Buchbesprechung: Ligand Field Theory and Its Applications. Von Brain N. Figgis und Michael A. Hitchman." Angewandte Chemie 113, n.º 3 (2 de febrero de 2001): 649–50. http://dx.doi.org/10.1002/1521-3757(20010202)113:3<649::aid-ange649>3.0.co;2-#.
Texto completoChiu, Ying-Nan. "Crystal-field theory for the Rydberg states of polyatomic molecules". Canadian Journal of Physics 64, n.º 7 (1 de julio de 1986): 782–95. http://dx.doi.org/10.1139/p86-140.
Texto completoBahrami, Homayoon, Narges Ostadhosseini, Hamid Reza Shamlouei y Mansour Zahedi. "Study of six coordinated cobalt(III) oxophlorin with different axial ligands: Optimization of geometry and determining of energy and electronic configuration at various spin states by employing of B3LYP, BV86P and M06-2X methods". Journal of Porphyrins and Phthalocyanines 28, n.º 03 (marzo de 2024): 173–91. http://dx.doi.org/10.1142/s1088424624500147.
Texto completoSuta, Markus, Fanica Cimpoesu y Werner Urland. "The angular overlap model of ligand field theory for f elements: An intuitive approach building bridges between theory and experiment". Coordination Chemistry Reviews 441 (agosto de 2021): 213981. http://dx.doi.org/10.1016/j.ccr.2021.213981.
Texto completoCheng, Haojin, Brandon Djukic, Hilary A. Jenkins, Serge I. Gorelsky y Martin T. Lemaire. "Iron(II) complexes containing thiophene-substituted “bispicen” ligands — Spin-crossover, ligand rearrangements, and ferromagnetic interactions". Canadian Journal of Chemistry 88, n.º 9 (septiembre de 2010): 954–63. http://dx.doi.org/10.1139/v10-086.
Texto completoDeeth, Robert J. "d-orbital energy levels in planar [MIIF4]2−, [MII(NH3)4]2+ and [MII(CN)4]2− complexes: the nature of M–L π bonding and the implications for ligand field theory". Dalton Transactions 49, n.º 28 (2020): 9641–50. http://dx.doi.org/10.1039/d0dt02022b.
Texto completoGoswami, Debpriyo, Shanti Gopal Patra y Debashis Ray. "Magneto-Structural Analysis of Hydroxido-Bridged CuII2 Complexes: Density Functional Theory and Other Treatments". Magnetochemistry 9, n.º 6 (10 de junio de 2023): 154. http://dx.doi.org/10.3390/magnetochemistry9060154.
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