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Pure Appl. Chem., 2009, Vol. 81, No. 4, pp. 719-729

http://dx.doi.org/10.1351/PAC-CON-08-09-18

Design of carborane molecular architectures with electronic structure computations: From endohedral and polyradical systems to multidimensional networks

Josep M. Oliva1, Douglas J. Klein2, Paul von Ragué Schleyer3 and Luis Serrano-Andrés4

1 "Rocasolano" Institute of Physical Chemistry, CSIC, ES-28006 Madrid, Spain
2 Texas A&M University at Galveston, Galveston, TX 77553-1675, USA
3 Center for Computational Chemistry, University of Georgia, Athens, GA 30602, USA
4 Institute of Molecular Science, University of València, ES-46071 València, Spain

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  • Rosenfeld Vladimir R., Oliva Josep M., Klein Douglas J.: Chain carborane molecules. Chem Monthly 2012, 143, 361. <http://dx.doi.org/10.1007/s00706-011-0689-x>
  • Fey Natalie, Haddow Mairi F., Mistry Rakesh, Norman Nicholas C., Orpen A. Guy, Reynolds Timothy J., Pringle Paul G.: Regioselective B-Cyclometalation of a Bulky o-Carboranyl Phosphine and the Unexpected Formation of a Dirhodium(II) Complex. Organomettalics 2012, 120209095056000. <http://dx.doi.org/10.1021/om201198s>
  • Torrens Francisco, Castellano Gloria: Bundlet Model for Single-Wall Carbon Nanotubes, Nanocones and Nanohorns : . International Journal of Chemoinformatics and Chemical Engineering 2012, 2, 48. <http://dx.doi.org/10.4018/ijcce.2012010105>
  • Scholz Matthias, Hey-Hawkins Evamarie: Carbaboranes as Pharmacophores: Properties, Synthesis, and Application Strategies. Chemistry Review 2011, 111, 7035. <http://dx.doi.org/10.1021/cr200038x>
  • Charkin O. P.: Theoretical study of the structure and stability of cage-substituted octahedral boranes, alanes, and gallanes. Russ J Inorg Chem 2011, 56, 1924. <http://dx.doi.org/10.1134/S003602361112031X>
  • Oliva Josep M., Fernández-Barbero Antonio, Serrano-Andrés Luis, Canle-L. Moisés, Santaballa J. Arturo, Fernández M. Isabel: Energy landscapes in diexo and exo/endo isomers derived from Li2B12H12. chem phys letts 2010, 497, 172. <http://dx.doi.org/10.1016/j.cplett.2010.08.018>
  • Hohman J. Nathan, Claridge Shelley A., Kim Moonhee, Weiss Paul S.: Cage molecules for self-assembly. Mater Sci Eng R 2010, 70, 188. <http://dx.doi.org/10.1016/j.mser.2010.06.008>
  • Oliva Josep M., Schleyer Paul von Ragué, Aullón Gabriel, Burgos José I., Fernández-Barbero Antonio, Alkorta Ibon: On the electronic structure and stability of icosahedral r-X2Z10H12 and Z12H122− clusters; r = {ortho, meta, para}, X = {C, Si}, Z = {B, Al}. Phys Chem Chem Phys 2010, 12, 5101. <http://dx.doi.org/10.1039/b924322d>
  • Oliva Josep M., Serrano-Andrés Luis, Klein Douglas J., Schleyer Paul von Ragué, Michl Josef: Design of Carborane Molecular Architectures via Electronic Structure Computations. Int J Photoenergy 2009, 2009, 1. <http://dx.doi.org/10.1155/2009/292393>