Boron fullerenes with 32–56 atoms: Irregular cage configurations and electronic properties
暂无分享,去创建一个
[1] R. Pandey,et al. The Unusually Stable B100 Fullerene, Structural Transitions in Boron Nanostructures, and a Comparative Study of α- and γ-Boron and Sheets , 2010 .
[2] N. G. Szwacki,et al. The symmetry of the boron buckyball and a related boron nanotube , 2010, 1001.1182.
[3] Xavier Andrade,et al. Optical and magnetic properties of boron fullerenes. , 2009, Physical chemistry chemical physics : PCCP.
[4] K. Lau,et al. Boron fullerenes: From B80 to hole doped boron sheets , 2009 .
[5] R. Zope. The α-boron cages with four-member rings , 2009 .
[6] B. Yakobson,et al. The boron buckyball and its precursors: an electronic structure study. , 2008, The journal of physical chemistry. A.
[7] G. Su,et al. Family of boron fullerenes: general constructing schemes, electron counting rule and ab initio calculations , 2008, 0811.1523.
[8] M. Pederson,et al. Structural and bonding properties of bcc-based B80 solids , 2008 .
[9] G. Su,et al. Face-centered-cubic B 80 metal: Density functional theory calculations , 2008, 0811.1282.
[10] E. Jemmis,et al. Stuffing improves the stability of fullerenelike boron clusters. , 2008, Physical review letters.
[11] B. Yakobson,et al. Erratum: B 80 Fullerene: An Ab Initio Prediction of Geometry, Stability, and Electronic Structure [Phys. Rev. Lett. 98 , 166804 (2007)] , 2008 .
[12] Vibrational stability and electronic structure of a B80 fullerene , 2008, 0803.2752.
[13] A. Ceulemans,et al. The Boron Buckyball has an Unexpected Th Symmetry , 2007, 0708.2331.
[14] M. Kappes,et al. Boron cluster cations: transition from planar to cylindrical structures. , 2007, Angewandte Chemie.
[15] N. G. Szwacki. Boron Fullerenes: A First-Principles Study , 2007, 0711.0767.
[16] Sohrab Ismail-Beigi,et al. Novel precursors for boron nanotubes: the competition of two-center and three-center bonding in boron sheets. , 2007, Physical review letters.
[17] Vincent Meunier,et al. Structure and stability of small boron and boron oxide clusters. , 2007, The journal of physical chemistry. A.
[18] L. Tian,et al. Josephson junction microscope for low-frequency fluctuators. , 2007, Physical review letters.
[19] B. Yakobson,et al. B80 fullerene: an Ab initio prediction of geometry, stability, and electronic structure. , 2007, Physical review letters.
[20] Alexander I Boldyrev,et al. Comprehensive analysis of chemical bonding in boron clusters , 2007, J. Comput. Chem..
[21] R. Tenne,et al. Inorganic nanotubes and fullerene-like nanoparticles , 2006, Nature nanotechnology.
[22] Anastassia N. Alexandrova,et al. All-Boron Aromatic Clusters as Potential New Inorganic Ligands and Building Blocks in Chemistry , 2006 .
[23] Wei An,et al. Relative stability of planar versus double-ring tubular isomers of neutral and anionic boron cluster B20 and B20-. , 2006, The Journal of chemical physics.
[24] Toshimasa Ishida,et al. Aromaticity of planar boron clusters confirmed. , 2005, Journal of the American Chemical Society.
[25] R. King,et al. Spherical aromaticity: recent work on fullerenes, polyhedral boranes, and related structures. , 2005, Chemical reviews.
[26] S. Bulusu,et al. Planar-to-tubular structural transition in boron clusters: B20 as the embryo of single-walled boron nanotubes. , 2005, Proceedings of the National Academy of Sciences of the United States of America.
[27] A theoretical study of vibrational properties of neutral and cationic B12 clusters , 2005 .
[28] Jun Li,et al. Hydrocarbon analogues of boron clusters — planarity, aromaticity and antiaromaticity , 2003, Nature materials.
[29] I. Boustani. New Convex and Spherical Structures of Bare Boron Clusters , 1997 .
[30] I. Boustani,et al. Systematic ab initio investigation of bare boron clusters:mDetermination of the geometryand electronic structures of B n (n=2–14) , 1997 .
[31] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[32] Paul von Ragué Schleyer,et al. Nucleus-Independent Chemical Shifts: A Simple and Efficient Aromaticity Probe. , 1996, Journal of the American Chemical Society.
[33] J. Weare,et al. Anomalous stability of B+13 clusters , 1992 .
[34] J. Weare,et al. Instability of the B12 icosahedral cluster: Rearrangement to a lower energy structure , 1991 .
[35] B. Delley. An all‐electron numerical method for solving the local density functional for polyatomic molecules , 1990 .
[36] Harris. Simplified method for calculating the energy of weakly interacting fragments. , 1985, Physical review. B, Condensed matter.