相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。Endohedral Metal Atoms in Pristine and Functionalized Fullerene Cages
Michio Yamada et al.
ACCOUNTS OF CHEMICAL RESEARCH (2010)
A Pseudoatom in a Cage: Trimetallofullerene Y3@C80 Mimics Y3N@C80 with Nitrogen Substituted by a Pseudoatom
Alexey A. Popov et al.
ACS NANO (2010)
The maximum pentagon separation rule provides a guideline for the structures of endohedral metallofullerenes
Antonio Rodriguez-Fortea et al.
NATURE CHEMISTRY (2010)
Trimetallic Nitride Endohedral Fullerenes: Experimental and Theoretical Evidence for the M3N6+@C-2n(6-) model
Manuel N. Chaur et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Fusing Pentagons in a Fullerene Cage by Chlorination: IPR D-2-C-76 Rearranges into non-IPR C76Cl24
Ilya N. Ioffe et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Chemical, Electrochemical, and Structural Properties of Endohedral Metallofullerenes
Manuel N. Chaur et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)
Two Regioisomers of Endohedral Pyrrolidinodimetallofullerenes M2@I-h-C-80(CH2)(2)NTrt (M = La, Ce; Trt = trityl): Control of Metal Atom Positions by Addition Positions
Michio Yamada et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
Electronic Structure and Redox Properties of Metal Nitride Endohedral Fullerenes M3N@C-2n (M = Sc, Y, La, and Gd; 2n=80, 84, 88, 92, 96)
Ramon Valencia et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
Cycloaddition Reactions of Butadiene and 1,3-Dipoles to Curved Arenes, Fullerenes, and Nanotubes: Theoretical Evaluation of the Role of Distortion Energies on Activation Barriers
Silvia Osuna et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
Bonding in Endohedral Metallofullerenes as Studied by Quantum Theory of Atoms in Molecules
Alexey A. Popov et al.
CHEMISTRY-A EUROPEAN JOURNAL (2009)
Electronic Structures of Scandium Oxide Endohedral Metallofullerenes, Sc4(μ3-O)n@lh-C80 (n=2, 3)
Ramon Valencia et al.
INORGANIC CHEMISTRY (2009)
First-Principle Calculations of Large Fullerenes
Patrizia Calaminici et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2009)
Metal-Cage Bonding, Molecular Structures and Vibrational Spectra of Endohedral Fullerenes: Bridging Experiment and Theory
A. A. Popov
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE (2009)
Dichlorocarbene Addition to C60 from the Trichloromethyl Anion: Carbene Mechanism or Bingel Mechanism?
Xingfa Gao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
Diels-Alder Reaction between Cyclopentadiene and C60: An Analysis of the Performance of the ONIOM Method for the Study of Chemical Reactivity in Fullerenes and Nanotubes
Silvia Osuna et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2009)
The stabilization of fused-pentagon fullerene molecules
Yuan-Zhi Tan et al.
NATURE CHEMISTRY (2009)
Stability of multiply charged fullerene anions and cations
Yang Wang et al.
PHYSICAL REVIEW A (2009)
On the mechanism of the thermal retrocycloaddition of pyrrolidinofullerenes (retro-prato reaction)
Salvatore Filippone et al.
CHEMISTRY-A EUROPEAN JOURNAL (2008)
Stable non-IPR C60 and C70 fullerenes containing a uniform distribution of pyrenes and adjacent pentagons
Henning Zettergren et al.
CHEMPHYSCHEM (2008)
Development of the cyclic cluster model formalism for Kohn-Sham auxiliary density functional theory methods
Florian Janetzko et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Understanding the stabilization of metal carbide endohedral fullerenes M2C2@C82 and related systems
Ramon Valencia et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Hindered Cluster Rotation and 45Sc Hyperfine Splitting Constant in Distonoid Anion Radical SC3N@C80-, and Spatial Spin-Charge Separation as a General Principle for Anions of Endohedral Fullerenes with Metal-Localized Lowest Unoccupied Molecular Orbitals
Alexey A. Popov et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Synthesis and X-ray or NMR/DFT structure elucidation of twenty-one new trifluoromethyl derivatives of soluble cage isomers of C76, C78, C84, and C90
Ivan E. Kareev et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Chemical reactivity of D3h C78 (Metallo)fullerene:: Regioselectivity changes induced by Sc3N encapsulation
Silvia Osuna et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Dynamics and magnetic resonance properties of Sc3C2@C-80 and its monoanion
Stefan Taubert et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2008)
Static dielectric response of icosahedral fullerenes from C60 to C2160 characterized by an all-electron density functional theory
Rajendra R. Zope et al.
PHYSICAL REVIEW B (2008)
Geometries, stabilities, and reactions of carbon clusters: Towards a microscopic theory of fullerene formation
Yusuke Ueno et al.
PHYSICAL REVIEW B (2008)
A geometric constraint, the head-to-tail exclusion rule, may be the basis for the isolated-pentagon rule in fullerenes with more than 60 vertices
Stan Schein et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2008)
The role of an asymmetric nitride cluster on a fullerene cage:: The Non-IPR endohedral DySC2N@C76
Shangfeng Yang et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Search for lowest-energy fullerenes 2:: C38 to C80 and C112 to C120
Nan Shao et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Structure, stability, and cluster-cage interactions in nitride clusterfullerenes M3N@C2n (M = Sc, Y; 2n=68-98):: a density functional theory study
Alexey A. Popov et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Radical trifluoromethylation of Sc3N@C80
Natalia B. Shustova et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
SC3N@C78:: Encapsulated cluster regiocontrol of adduct docking on an ellipsoidal metallofullerene sphere
Ting Cai et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
Open rather than closed malonate methano-fullerene derivatives.: The formation of methanofulleroid adducts of Y3N@C80
Olena Lukoyanova et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)
C78 cage isomerism defined by trimetallic nitride cluster size:: A computational and vibrational spectroscopic study
Alexey A. Popov et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2007)
Quantum chemical molecular dynamics study of Shrinking of Hot Giant fullerenes
Guishan Zheng et al.
JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY (2007)
Cycloaddition reactions of 16-electron d(4) metallocene complexes with C-60: A theoretical study
Jeng-Horng Sheu et al.
CHEMISTRY-A EUROPEAN JOURNAL (2007)
Violating the Isolated Pentagon Rule (IPR): The endohedral Non-IPR coo cage of Sc3N@C-70
Shangfeng Yang et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2007)
Large fullerenes stabilized by encapsulation of metallic clusters
Ramon Valencia et al.
CHEMICAL COMMUNICATIONS (2007)
A facile route to the non-IPR fullerene Sc3N@C68:: Synthesis, spectroscopic characterization, and density functional theory computations (IPR =isolated pentagon rule)
Shangfeng Yang et al.
CHEMISTRY-A EUROPEAN JOURNAL (2006)
Tb3N@C84:: An improbable, egg-shaped endohedral fullerene that violates the isolated pentagon rule
Christine M. Beavers et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
In vitro and in vivo imaging studies of a new endohedral metallofullerene nanoparticle
Panos P. Fatouros et al.
RADIOLOGY (2006)
Excited electronic states and relative stabilities of C80
Zdenek Slanina et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)
The C60 formation puzzle solved:: QM/MD simulations reveal the shrinking hot giant road of the dynamic fullerene self-assembly mechanism
Stephan Irle et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
Prediction of low-energy isomers of large fullerenes from C132 to C160
Lei Xu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Search for lowest-energy fullerenes:: C98 to C110
Nan Shao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Unprecedented μ4-C26- anion in Sc4C2@C80
Kai Tan et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
New challenges in fullerene chemistry
Nazario Martin
CHEMICAL COMMUNICATIONS (2006)
Unexpected chemical and electrochemical properties of M3N@C80 (M = Sc, Y, Er)
Claudia M. Cardona et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Efficient quantum-chemical geometry optimization and the structure of large icosahedral fullerenes
BI Dunlap et al.
CHEMICAL PHYSICS LETTERS (2006)
H2, Ne, and N2 energies of encapsulation into C60 evaluated with the MPWB1K functional
Zdenek Slanina et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2006)
Synthesis and structural characterization of endohedral pyrrolidinodimetallofullerene:: La2@C80(CH2)2NTrt
M Yamada et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)
Electronic structure and redox properties of the open-shell metal-carbide endofullerene SC3C2@C80:: A density functional theory investigation
K Tan et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2006)
Exohedral reactivity of trimetallic nitride template (TNT) endohedral metallofullerenes
JM Campanera et al.
JOURNAL OF ORGANIC CHEMISTRY (2006)
Dancing on a fullerene surface: Isomerization of Y3N@(N-ethylpyrrolidino-C-80) from the 6,6 to the 5,6 regioisomer
Antonio Rodriguez-Fortea et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
Thermal [2+2] intramolecular cycloadditions of fuller-1,6-enynes
N Martin et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)
Spherical aromaticity: Recent work on fullerenes, polyhedral boranes, and related structures
ZF Chen et al.
CHEMICAL REVIEWS (2005)
Performance of the DFTB method in comparison to DFT and semiempirical methods for geometries and energies Of C20-C86 fullerene isomers
GS Zheng et al.
CHEMICAL PHYSICS LETTERS (2005)
Open versus closed 1,3-dipolar additions of C60:: A theoretical investigation on their mechanism and regioselectivity
K Kavitha et al.
JOURNAL OF ORGANIC CHEMISTRY (2005)
Theoretical study of the highly diastereoselective 1,3-dipolar cycloaddition of 1,4-dihydropyridine-containing azomethine ylides to [60]fullerene (Prato's reaction)
A Alvarez et al.
JOURNAL OF ORGANIC CHEMISTRY (2005)
Leaving the fullerene road:: presence and stability of sp chains in sp2 carbon clusters and cluster-assembled solids -: art. no. 81
M Bogana et al.
NEW JOURNAL OF PHYSICS (2005)
Analysis of polyaddition levels in i-SC3NC80
JM Campanera et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2005)
General rule for the stabilization of fullerene cages encapsulating trimetallic nitride templates
JM Campanera et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)
Theoretical studies on the relative stabilities of C96IPR fullerenes
X Zhao et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2004)
From C2 molecules to self-assembled fullerenes in quantum chemical molecular dynamics
S Irle et al.
NANO LETTERS (2003)
Theoretical investigations on relative stabilities of fullerene C94
X Zhao et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Bonding within the endohedral fullerenes Sc3N@C78 and Sc3N@C80 as determined by density functional calculations and reexamination of the crystal structure of {Sc3N@C78}•Co(OEP)•1.5(C6H6)•0.3(CHCl3)
JM Campanera et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Distributions of C2 and C3 radical densities in laser-ablation carbon plumes measured by laser-induced fluorescence imaging spectroscopy
K Sasaki et al.
JOURNAL OF APPLIED PHYSICS (2002)
A dynamic continuum of nanostructured carbons in the combustion furnace
MP Johnson et al.
CARBON (2002)
Ab initio investigation of hydrogenation of C60
Y Okamoto
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
Fullerene C80:: Are there still more isomers?
F Furche et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Mechanism of the addition reaction of alkyl azides to [60]fullerene and the subsequent N2 extrusion to form monoimino-[60]fullerenes
M Cases et al.
JOURNAL OF ORGANIC CHEMISTRY (2001)
Materials science - A stable non-classical metallofullerene family
S Stevenson et al.
NATURE (2000)
Standard enthalpies of formation of fullerenes and their dependence on structural motifs
J Cioslowski et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)
Production and isolation of an ellipsoidal C-80 fullerene
CR Wang et al.
CHEMICAL COMMUNICATIONS (2000)