Boron-nitrogen analogues of the fullerenes: electronic and structural properties
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Patrick W. Fowler | Dirk V. Porezag | Gotthard Seifert | P. Fowler | G. Seifert | T. Frauenheim | D. Porezag | D. Mitchell | D. Mitchell | Th. Frauenheim
[1] R. S. Pease. An X‐ray study of boron nitride , 1952 .
[2] Jackson,et al. Variational mesh for quantum-mechanical simulations. , 1990, Physical review. B, Condensed matter.
[3] W. Krätschmer,et al. Solid C60: a new form of carbon , 1990, Nature.
[4] D. Bethune,et al. Bond Lengths in Free Molecules of Buckminsterfullerene, C60, from Gas-Phase Electron Diffraction , 1991, Science.
[5] J. R. Bowser,et al. MNDO Study of Boron-Nitrogen Analogues of Buckminsterfullerene , 1992 .
[6] J. R. Bowser,et al. Stability and structure of C12B24N24: a hybrid analog of buckminsterfullerene , 2002 .
[7] Jun Li,et al. Symmetrical clusters of carbon and boron , 1993 .
[8] Ernst Joachim Weniger,et al. Bulk properties from finite cluster calculations. VIII. Benchmark calculations of the efficiency of extrapolation methods for the HF and MP2 energies of polyacenes , 1993, J. Comput. Chem..
[9] J. Cioslowski. Heats of formation of higher fullerenes from ab initio Hartree—Fock and correlation energy functional calculations , 1993 .
[10] A. L. Chistyakov,et al. Polyhedral boron nitride molecules , 1993 .
[11] E. Kaxiras,et al. Theoretical study of passivated small fullerenes C24X4 (XN, P, As) and their isoelectronic equivalents (BN)12X4 , 1994 .
[12] Patrick W. Fowler,et al. Leapfrog transformations and polyhedra of Clar type , 1994 .
[13] Douglas J. Klein,et al. BN ALTERNANTS : BORON NITRIDE CAGES AND POLYMERS , 1995 .
[14] Shyi-Long Lee,et al. Square/hexagon route towards the boron-nitrogen clusters , 1995 .
[15] Seifert,et al. Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon. , 1995, Physical review. B, Condensed matter.
[16] Steven G. Louie,et al. Boron Nitride Nanotubes , 1995, Science.
[17] G. Seifert,et al. Calculations of molecules, clusters, and solids with a simplified LCAO-DFT-LDA scheme , 1996 .
[18] Patrick W. Fowler,et al. Energetics of Fullerenes with Four-Membered Rings , 1996 .
[19] G. Seifert,et al. Ionization energies of fullerenes - size and charge dependence , 1996 .
[20] Seifert,et al. Density-functional-based construction of transferable nonorthogonal tight-binding potentials for B, N, BN, BH, and NH. , 1995, Physical review. B, Condensed matter.