Fullerene: An <i>Ab Initio</i> Prediction of Geometry, Stability, and Electronic StructureGonzalez Szwacki, Nevill; Sadrzadeh, Arta; Yakobson, Boris I. · Physical Review Letters · 2007

<i>Ab initio</i> prediction of stable boron sheets and boron nanotubes: Structure, stability, and electronic propertiesYang, Xiaobao; Ding, Yi; Ni, Jun · Physical Review B · 2008

Fullerene: An <i>Ab Initio</i> Prediction of Geometry, Stability, and Electronic Structure [Phys. Rev. Lett. <b>98</b> , 166804 (2007)]Gonzalez Szwacki, Nevill; Sadrzadeh, Arta; Yakobson, Boris I. · Physical Review Letters · 2008

Prediction of the Formation and Stabilities of Energetic Salts and Ionic Liquids Based on ab Initio Electronic Structure CalculationsGutowski, Keith E.; Holbrey, John D.; Rogers, Robin D.; Dixon, David A. · The Journal of Physical Chemistry B · 2005

Electronic structure, Fermi surface, and chemical bonding in new layered oxyselenide: HgCuSeOV. V. Bannikov, I. R. Shein, A. L. Ivanovskii · 2012

Mechanical properties and electronic structure of zircon: Ab inito FLAPW-GGA calculationsV. V. Bannikov; I. R. Shein; A. L. Ivanovskii · 2012

Electronic structure, chemical bonding and elastic properties of the first thorium-containing nitride perovskite TaThN3V. V. Bannikov; I. R. Shein; A. L. Ivanovskii · 2007

Elastic and electronic properties of the new perovskite-like superconductor ZnNNi3 in comparison with MgCNi3I. R. Shein; V. V. Bannikov; A. L. Ivanovskii · 2010

Novel magnetic half-metallic materials based on ionic insulators doped with nonmagnetic impurities: MgO + B, C, N SystemsV. V. Bannikov; I. R. Shein; A. L. Ivanovskii · 2007

Magnetic and Electronic Properties of Nitrogen-Doped Lanthanum Sesquioxide La2O3as Predicted from First PrinciplesV. V. Bannikov; I. R. Shein; A. L. Ivanovskii · 2011

Structural, electronic, and magnetic properties of CaCNi3, SrCNi3, and BaCNi3antiperovskites in comparison to superconducting MgCNi3V. V. Bannikov; I. R. Shein; A. L. Ivanovskii · 2010