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Pure Appl. Chem., 1988, Vol. 60, No. 8, pp. 1153-1162

Use of semi-empirical molecular orbital theory for study of electronic structures of transition metal complexes

R. F. Fenske

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  • Zheng K.C, Wang J.P, Liu X.W, Shen Y, Yun F.C: Studies of substituent effects on the electronic structure and related properties of [Ru(phen)3]2+ with DFT method. Journal of Molecular Structure: THEOCHEM 2002, 577, 95. <>
  • Whoolery Johnson Alison J., Spencer Brock, Dahl Lawrence F.: Synthesis and experimental/theoretical investigation of the high-nuclearity cubic Td [Au6Ni12(CO)24]2− cluster, an initial example of a discrete gold-nickel bimetallic-bonded species: comparative analysis of the results of electron-counting methods and the Fenske-Hall MO model in rationalizing the bonding interactions of its Au6Ni12 core consisting of five face-fused metal octahedra. Inorg Chim Ada 1994, 227, 269. <>
  • Khan Muhammad S., Kakkar Ashok K., Ingham Scott L., Raithby Paul R., Lewis Jack, Spencer Brock, Wittmann Felix, Friend Richard H.: Synthesis and electronic structure of rigid rod octahedral Ru-σ-acetylide complexes. J Organomet Chem 1994, 472, 247. <>
  • Nissen-Sobocińska Barbara, J≐owska-Trzebiatowska Bogusława: Nature of the hydrogen bridge in transition metal complexes VI . A comparison of the electronic structure of CHB and CuHCu bridges. J Organomet Chem 1993, 452, 277. <>
  • Wadepohl Hubert, Zhu Longgen: Organometallic clusters with face capping arene ligands II. The electronic structure of (CpCo)3(μ3-η2:η2:η2-benzene). J Organomet Chem 1989, 376, 115. <>