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Results 1 to 25 of 642

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Density functional theory based molecular dynamics simulation study on the bulk modulus of multi-shell fullerenesGHORBANZADEH AHANGARI, M; FEREIDOON, A; DARVISH GANJI, M et al.Physica. B, Condensed matter. 2013, Vol 423, pp 1-5, issn 0921-4526, 5 p.Article

A first-principles study of the effect of charge doping on the 1D polymerization of C60POLONI, R; SAN MIGUEL, A; FERNANDEZ-SERRA, M. V et al.Journal of physics. Condensed matter (Print). 2012, Vol 24, Num 9, issn 0953-8984, 095501.1-095501.7Article

Ab initio investigation of the possibility of formation of endohedral complexes between H2 molecules and B-, N- and Si-doped C60 fullerenesGANJI, M. D.Physica. E, low-dimentional systems and nanostructures. 2009, Vol 41, Num 8, pp 1406-1409, issn 1386-9477, 4 p.Article

NMR evidence for C60 configurational fluctuations around Na sites in Na2CsC60MATUS, P; ALLOUL, H; KRIZA, G et al.Journal of superconductivity and novel magnetism. 2007, Vol 20, Num 2, pp 155-159, issn 1557-1939, 5 p.Article

Selective Growth of Fullerenes from C60 to C70: Inherent Geometrical Connectivity Hidden in Discrete Experimental EvidenceWANG, Wei-Wei; DANG, Jing-Shuang; ZHENG, Jia-Jia et al.Journal of physical chemistry. C. 2013, Vol 117, Num 5, pp 2349-2357, issn 1932-7447, 9 p.Article

Structure of Tm@C82(I) Metallofullerene by Single-Crystal X-ray Diffraction Using the 1:2 Co-Crystal with Octaethylporphyrin Nickel (Ni(OEP))SADO, Yuki; AOYAGI, Shinobu; KITAURA, Ryo et al.Journal of physical chemistry. C. 2013, Vol 117, Num 12, pp 6437-6442, issn 1932-7447, 6 p.Article

Long-Range Ordered Carbon Clusters: A Crystalline Material with Amorphous Building BlocksLIN WANG; BINGBING LIU; HUI LI et al.Science (Washington, D.C.). 2012, Vol 337, Num 6096, pp 825-828, issn 0036-8075, 4 p.Article

Packed to the Rafters: Filling up C60 with Rare Gas AtomsTONNER, Ralf; FRENKING, Gernot; LEIN, Matthias et al.ChemPhysChem (Print). 2011, Vol 12, Num 11, pp 2081-2084, issn 1439-4235, 4 p.Article

Systematic search for energetically favored isomers of large fullerenes C122-C130 and C162-C180LEI XU; WENSHENG CAI; XUEGUANG SHAO et al.Computational materials science. 2008, Vol 41, Num 4, pp 522-528, issn 0927-0256, 7 p.Article

Dynamical and structural properties of titanium-decorated fullerene : A computer simulation studyDAWID, A; PISTEK, A; GBURSKI, Z et al.Journal of non-crystalline solids. 2008, Vol 354, Num 35-39, pp 4290-4295, issn 0022-3093, 6 p.Conference Paper

Dynamical properties of potassium ion K+ trapped in a fullerene C60 cage : An MD simulationDAWID, A; PISTEK, A; SOKOL, M et al.Journal of non-crystalline solids. 2008, Vol 354, Num 35-39, pp 4296-4299, issn 0022-3093, 4 p.Conference Paper

Structure of the boron nitride E-phase : Diamond lattice of B12N12 fullerenesPOKROPIVNY, A. V.Diamond and related materials. 2006, Vol 15, Num 9, pp 1492-1495, issn 0925-9635, 4 p.Article

The general structural character of carbon bucky-cages and the MS substructures of C60 and C70JIANFENG DAI; GUANGJI XU; YUTIAN DING et al.Microelectronic engineering. 2003, Vol 66, Num 1-4, pp 213-217, issn 0167-9317, 5 p.Conference Paper

Structural Determination on Yb@C78 Reveals an Unexpected Relationship of Yb@C2n (2n = 74―80)TAO YANG; XIANG ZHAO; NAGASE, Shigeru et al.Journal of physical chemistry. C. 2012, Vol 116, Num 40, pp 21640-21645, issn 1932-7447, 6 p.Article

Nanotube bundle oscillators: Carbon and boron nitride nanostructuresTHAMWATTANA, Ngamta; HILL, James M.Physica. B, Condensed matter. 2009, Vol 404, Num 21, pp 3906-3910, issn 0921-4526, 5 p.Article

Single-crystal structural study of the pressure-temperature-induced dimerization of C60MORET, R; LAUNOIS, P; WAGBERG, T et al.The European physical journal. B, Condensed matter physics. 2004, Vol 37, Num 1, pp 25-37, issn 1434-6028, 13 p.Article

From Endohedral Complexes to Endohedral Fullerene Covalent Derivatives: A Density Functional Theory Prognosis of Chemical Transformation of Water Endofullerene H2O@C60 upon Its CompressionSABIROV, Denis Sh.Journal of physical chemistry. C. 2013, Vol 117, Num 2, pp 1178-1182, issn 1932-7447, 5 p.Article

Reactivities of C60 and C70UENO, Yusuke; SAITO, Susumu.Physica. E, low-dimentional systems and nanostructures. 2007, Vol 40, Num 2, pp 285-288, issn 1386-9477, 4 p.Conference Paper

7Li and 23Na MAS solid state NMR studies of Na4C60 and Li4C60WAGBERG, T; JOHNELS, D.The Journal of physics and chemistry of solids. 2006, Vol 67, Num 5-6, pp 1091-1094, issn 0022-3697, 4 p.Conference Paper

High yield synthesis and HREM study of fullerene tubules and fullerene onionsXIAOPING XU; YOUWEN WANG; WENZHOU LI et al.Solid state communications. 1994, Vol 89, Num 2, pp 89-92, issn 0038-1098Article

Irradiation effects in single-walled carbon nanotubes: Density-functional theory based treatmentsCHAO ZHANG; FEI MAO; JINXIA DAI et al.Computational materials science. 2014, Vol 93, pp 15-21, issn 0927-0256, 7 p.Article

Electronic shell and supershell structure in graphene flakesMANNINEN, M; HEISKANEN, H. P; AKOLA, J et al.The European physical journal. D, Atomic, molecular and optical physics (Print). 2009, Vol 52, Num 1-3, pp 143-146, issn 1434-6060, 4 p.Conference Paper

C68 Fullerene Isomers, Anions, and their Metallofullerenes : Charge-Stabilizing Different IsomersCHEN, De-Li; WEI QUAN TIAN; FENG, Ji-Kang et al.ChemPhysChem (Print). 2008, Vol 9, Num 3, pp 454-461, issn 1439-4235, 8 p.Article

Inorganic clathrate-II materials of group 14 : synthetic routes and physical propertiesBEEKMAN, M; NOLAS, G. S.Journal of material chemistry. 2008, Vol 18, Num 8, pp 842-851, issn 0959-9428, 10 p.Article

Mechanical properties of solid C60 studied with density functional tight binding method augmented by an empirical dispersion termCHAO FENG; CHONG ZHANG; RUIQIN ZHANG et al.Journal of physics. Condensed matter (Print). 2008, Vol 20, Num 27, issn 0953-8984, 275240.1-275240.7Article

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