Adsorption of ethane, ethylene, propane, and propylene on a magnesium-based metal–organic framework Z Bao, S Alnemrat, L Yu, I Vasiliev, Q Ren, X Lu, S Deng
Langmuir 27 (22), 13554-13562, 2011
353 2011 Ab initio Calculations for the Polarizabilities of Small Semiconductor ClustersI Vasiliev, S Öğüt, JR Chelikowsky
Physical review letters 78 (25), 4805, 1997
274 1997 Ab Initio Absorption Spectra and Optical Gaps in Nanocrystalline SiliconI Vasiliev, S Öğüt, JR Chelikowsky
Physical Review Letters 86 (9), 1813, 2001
270 2001 Surface oxidation effects on the optical properties of silicon nanocrystals I Vasiliev, JR Chelikowsky, RM Martin
Physical Review B 65 (12), 121302, 2002
257 2002 Ab Initio Excitation Spectra and Collective Electronic Response in Atoms and ClustersI Vasiliev, S Öğüt, JR Chelikowsky
Physical review letters 82 (9), 1919, 1999
243 1999 First-principles density-functional calculations for optical spectra of clusters and nanocrystals I Vasiliev, S Öğüt, JR Chelikowsky
Physical Review B 65 (11), 115416, 2002
225 2002 Theoretical study of the surface energy, stress, and lattice contraction of silver nanoparticles B Medasani, YH Park, I Vasiliev
Physical Review B—Condensed Matter and Materials Physics 75 (23), 235436, 2007
202 2007 Kinetic separation of carbon dioxide and methane on a copper metal–organic framework Z Bao, S Alnemrat, L Yu, I Vasiliev, Q Ren, X Lu, S Deng
Journal of colloid and interface science 357 (2), 504-509, 2011
130 2011 Time-dependent density-functional calculations for the optical spectra of molecules, clusters, and nanocrystals JR Chelikowsky, L Kronik, I Vasiliev
Journal of Physics: Condensed Matter 15 (35), R1517, 2003
130 2003 Ab initio study of K adsorption on graphene and carbon nanotubes: Role of long-range ionic forcesA Lugo-Solis, I Vasiliev
Physical Review B—Condensed Matter and Materials Physics 76 (23), 235431, 2007
127 2007 Ab initio absorption spectra of gallium arsenide clustersI Vasiliev, S Öğüt, JR Chelikowsky
Physical Review B 60 (12), R8477, 1999
89 1999 Ab initio absorption spectra of MD Deshpande, DG Kanhere, I Vasiliev, RM Martin
Physical Review B 68 (3), 035428, 2003
86 2003 Ab initio structures and polarizabilities of sodium clustersL Kronik, I Vasiliev, M Jain, JR Chelikowsky
The Journal of Chemical Physics 115 (9), 4322-4332, 2001
80 2001 Ab initio study of carboxylated graphene N Al-Aqtash, I Vasiliev
The Journal of Physical Chemistry C 113 (30), 12970-12975, 2009
77 2009 Ab initio study of boron-and nitrogen-doped graphene and carbon nanotubes functionalized with carboxyl groups N Al-Aqtash, I Vasiliev
The Journal of Physical Chemistry C 115 (38), 18500-18510, 2011
73 2011 Ab initio calculations for structure and temperature effects on the polarizabilities of L Kronik, I Vasiliev, JR Chelikowsky
Physical Review B 62 (15), 9992, 2000
72 2000 Computational study of the surface properties of aluminum nanoparticles B Medasani, I Vasiliev
Surface science 603 (13), 2042-2046, 2009
69 2009 Ab initio study of the interactions between boron and nitrogen dopants in graphene N Al-Aqtash, KM Al-Tarawneh, T Tawalbeh, I Vasiliev
Journal of Applied Physics 112 (3), 2012
58 2012 Parallel implementation of time-dependent density functional theory WR Burdick, Y Saad, L Kronik, I Vasiliev, M Jain, JR Chelikowsky
Computer Physics Communications 156 (1), 22-42, 2003
55 2003 Density-functional study of structural and electronic properties of MD Deshpande, DG Kanhere, I Vasiliev, RM Martin
Physical Review A 65 (3), 033202, 2002
42 2002 