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Activation energies and information entropies of helium penetration through fullerene walls. Insights into the formation of endofullerenes nX@C 60/70 (n = 1 and 2) from the information entropy approach
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January 2016 |
Preparation and Crystallographic Characterization of a New Endohedral, Lu3N@C80⋅5 (o-xylene), and Comparison with Sc3N@C80⋅5 (o-xylene)
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October 2002 |
Magnetic Moments of the Endohedral Cluster Fullerenes Ho3N@C80 and Tb3N@C80: The Role of Ligand Fields.
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August 2005 |
An Atlas of Fullerenes By P. W. Fowler (University of Exeter), D. E. Manolopoulos (University of Nottingham). Oxford: New York. 1995. viii + 392 pp. $98.00. ISBN 0-19-855787-6.
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Sc 2 @C 70 rather than Sc 2 C 2 @C 68 : Density functional theory characterization of metallofullerene Sc 2 C 70
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July 2012 |
Fullerenes with metals inside
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October 1991 |
Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
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January 2016 |
Antioxidative function and biodistribution of [Gd@C82(OH)22]n nanoparticles in tumor-bearing mice
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March 2006 |
The role of aromaticity in determining the molecular structure and reactivity of (endohedral metallo)fullerenes
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January 2014 |
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
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September 1976 |
Fullerenes for Applications in Biology and Medicine
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May 2011 |
Quantum Chemical Insight of the Dimetallic Sulfide Endohedral Fullerene Sc 2 S@C 70 : Does It Possess the Conventional D 5 h Cage?
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January 2013 |
Expanding the World of Endohedral Fullerenes?The Tm3N@C2n (39?n?43) Clusterfullerene Family
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January 2005 |
C60: Buckminsterfullerene
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November 1985 |
The electronic structure and charge transfer excited states of the endohedral trimetallic nitride C 80 (I h ) fullerenes–Zn-tetraphenyl porphyrin dyads
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January 2015 |
Which Do Endohedral Ti 2 C 80 Metallofullerenes Prefer Energetically: Ti 2 @C 80 or Ti 2 C 2 @C 78 ? A Theoretical Study
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November 2005 |
Lutetium-based Trimetallic Nitride Endohedral Metallofullerenes: New Contrast Agents
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November 2002 |
Comparative Investigation on Non-IPR C 68 and IPR C 78 Fullerenes Encaging Sc 3 N Molecules
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October 2005 |
Can a Metal-Metal Bond Hop in the Fullerene Cage?
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August 2011 |
Gadolinium Nitride Gd3N in Carbon Cages: The Influence of Cluster Size and Bond Strength
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February 2005 |
Novel method for C 60 synthesis: A thermal plasma at atmospheric pressure
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December 1992 |
Isolation and Crystallographic Characterization of ErSc 2 N@C 80 : an Endohedral Fullerene Which Crystallizes with Remarkable Internal Order
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December 2000 |
Compression of Methane Endofullerene CH 4 @C 60 as a Potential Route to Endohedral Covalent Fullerene Derivatives: A DFT Study
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March 2015 |
Structure, Stability, and Cluster-Cage Interactions in Nitride Clusterfullerenes M 3 N@C 2 n (M = Sc, Y; 2 n = 68−98): a Density Functional Theory Study
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September 2007 |
Accurate forces in a local-orbital approach to the local-density approximation
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August 1990 |
Endohedral metallofullerenes
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May 2000 |
Sc 2 O@ T d (19151)-C 76 : Hindered Cluster Motion inside a Tetrahedral Carbon Cage Probed by Crystallographic and Computational Studies
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June 2015 |
A Large Family of Dysprosium-based Trimetallic Nitride Endohedral Fullerenes: Dy 3 N@C 2 n (39 ≤ n ≤ 44)
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June 2005 |
Production and isolation of an ellipsoidal C80 fullerene
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January 2000 |
Dimetallic sulfide endohedral metallofullerene Sc 2 S@C 76 : Density functional theory characterization
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June 2014 |
Ring Opening Reactions of Fullerenes: Designed Approaches to Endohedral Metal Complexes
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January 1999 |
Sc3N@C68: Folded Pentalene Coordination in an Endohedral Fullerene that Does Not Obey the Isolated Pentagon Rule
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February 2003 |
Ti2S@D3h(24109)-C78: a sulfide cluster metallofullerene containing only transition metals inside the cage
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January 2013 |
Isolation, Characterization, and Theoretical Study of La 2 @C 78
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August 2004 |
Violating the Isolated Pentagon Rule (IPR): The Endohedral Non-IPR C70 Cage of Sc3N@C70
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February 2007 |
Solid C60: a new form of carbon
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September 1990 |
Atoms in carbon cages: the structure and properties of endohedral fullerenes
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Optimization of Gaussian basis sets for density-functional calculations
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October 1999 |
A stable non-classical metallofullerene family
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November 2000 |
Entrapping a Group-VB Transition Metal, Vanadium, within an Endohedral Metallofullerene: V x Sc 3– x N@ I h -C 80 ( x = 1, 2)
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December 2015 |
Isolation and Structural Characterization of the Endohedral Fullerene Sc3N@C78
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April 2001 |
A Limited Memory Algorithm for Bound Constrained Optimization
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September 1995 |
Electronic and Optical Properties of VSc 2 N@C 68 Fullerene
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December 2016 |
Rationalizing the relative abundances of trimetallic nitride template-based endohedral metallofullerenes from aromaticity measures
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January 2017 |
Endohedral Metallofullerenes: Applications of a New Class of Carbonaceous Nanomaterials
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June 2010 |
Magnetic Moments of the Endohedral Cluster Fullerenes Ho3N@C80 and Tb3N@C80: The Role of Ligand Fields
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May 2005 |
Endohedral fullerenes for organic photovoltaic devices
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February 2009 |
NC unit trapped by fullerenes: a density functional theory study on Sc3NC@C2n (2n = 68, 78 and 80)
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January 2010 |
Endohedral fullerenes: the importance of electronic, size and shape complementarity between the carbon cages and the corresponding encapsulated clusters: ENDOHEDRAL FULLERENES
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January 2014 |
Sc 3 N@C 78 : Encapsulated Cluster Regiocontrol of Adduct Docking on an Ellipsoidal Metallofullerene Sphere
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September 2007 |
Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements
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September 2007 |
Low-toxic and safe nanomaterials by surface-chemical design, carbon nanotubes, fullerenes, metallofullerenes, and graphenes
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January 2011 |
Variational mesh for quantum-mechanical simulations
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April 1990 |
Small-bandgap endohedral metallofullerenes in high yield and purity
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September 1999 |
Record high magnetic exchange and magnetization blockade in Ln 2 @C 79 N (Ln = Gd( iii ) and Dy( iii )) molecules: a theoretical perspective
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January 2015 |
The Generation of Fullerenes
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October 2012 |
First-principle calculations of the ionization potentials and electron affinities of the spheroidal molecules carbon (C60) and lanthanum carbude (LaC60)
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December 1988 |
Endohedral Fullerenes
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May 2013 |
Infrared intensities and Raman-scattering activities within density-functional theory
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September 1996 |
The electronic structure of Ca@C60
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May 1993 |
Preparation and Structure of CeSc 2 N@C 80 : An Icosahedral Carbon Cage Enclosing an Acentric CeSc 2 N Unit with Buried f Electron Spin
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July 2006 |
Spin-Flow Vibrational Spectroscopy of Molecules with Flexible Spin Density: Electrochemistry, ESR, Cluster and Spin Dynamics, and Bonding in TiSc 2 N@C 80
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July 2010 |
Characterization of Carbon Nanotubes by optical spectra
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April 2003 |
The Generation of Fullerenes
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January 2012 |