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CHEMICAL PHYSICS, ISSN 0301-0104, 07/2017, Volume 492, pp. 5 - 11
Journal Article
NATURE CHEMISTRY, ISSN 1755-4330, 05/2016, Volume 8, Issue 5, pp. 435 - 441
The water dimer is an ideal chemical species with which to study hydrogen bonds. Owing to the equilibrium between the monomer and oligomer structure, however,... 
CLUSTERS | H2O-AT-C-60 | MOLECULAR-HYDROGEN | ENCAPSULATION | OPEN-CAGE C-70 | RELAXATION | C-60 | SEPARATION | H-2-AT-C-60 | CHEMISTRY, MULTIDISCIPLINARY | HYDROPHOBIC POCKET
Journal Article
Chemical Communications, ISSN 1359-7345, 2006, Issue 20, pp. 2093 - 2104
The aim of this focus article is to emphasize those aspects of fullerene chemistry which currently represent important challenges for the development and... 
CHEMISTRY, MULTIDISCIPLINARY | C-60
Journal Article
Chemical communications (Cambridge, England), ISSN 1359-7345, 05/2006, Issue 20, pp. 2093 - 2104
The aim of this focus article is to emphasize those aspects of fullerene chemistry which currently represent important challenges for the development and... 
Journal Article
JOURNAL OF ORGANIC CHEMISTRY, ISSN 0022-3263, 11/2017, Volume 82, Issue 21, pp. 11631 - 11635
The reaction of [Li+@C-60]TESI- (TFSI = bis(trifluoromethanesulfonyl)imide) with 9-diazofluorene directly produced a [6,6]-adduct of lithium-ion-containing... 
CYCLOPROPANE | FULLEROIDS | ELECTRON-TRANSFER | LI+ AT-C-60 | LI+AT-C-60(CENTER-DOT-) | TETRATHIAFULVALENE | REDUCTION | LI-AT-C-60 | CHEMISTRY, ORGANIC | LI+AT-C-60 | CHARGE SEPARATION
Journal Article
Optics Express, ISSN 1094-4087, 07/2018, Volume 26, Issue 14, pp. A697 - A708
In this study, we report a homo-tandem structure of small molecular organic solar cells (SMOSCs) using identical single-junction devices as sub-cells. The... 
FILL FACTOR | C-60 | OPTICS
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 04/2018, Volume 148, Issue 13, p. 134115
In recent years, experimental techniques have enabled the creation of ultracold optical lattices of molecules and endofullerene peapod nanomolecular... 
QUANTUM-CHEMISTRY | FULLERENE C-60 | H2O-AT-C-60 | MOLECULE | HF-AT-C-60 | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | SYSTEMS | ENCAPSULATED C-60 | WALLED CARBON NANOTUBES | Physics - Chemical Physics | Fullerenes | Quantum computing | Inorganic compounds | Quantum entanglement | Zero point energy
Journal Article
JOURNAL OF COMPUTATIONAL CHEMISTRY, ISSN 0192-8651, 07/2018, Volume 39, Issue 18, pp. 1090 - 1102
Twenty years have already been passed since the endohedral fullerene's void ceaselessly attracts attention of both, experimentalists and theoreticians,... 
BUCKMINSTERFULLERENE C-60 | NGAT-C-60 NG | AT-ADAMANTANE | NMR CHEMICAL-SHIFTS | He-2@C-60 | HELIUM DIMER | bond | CHEMISTRY, MULTIDISCIPLINARY | MASS-SPECTROMETRY | DER-WAALS COMPLEXES | Lowdin's postulate | QUANTUM-CHEMISTRY | endohedral fullerene | POPULATION ANALYSIS | He@C-60 | molecule | fullerene | GAUSSIAN-BASIS SETS
Journal Article
CARBON, ISSN 0008-6223, 02/2015, Volume 82, pp. 381 - 407
Structural phase transitions of C-60 under high-pressure and high-temperature are presented in a concise overview extracted from updated literature. Primarily... 
SOLID C-60 | SINGLE-CRYSTAL C-60 | POLYMERIZED C-60 | MATERIALS SCIENCE, MULTIDISCIPLINARY | FULLERITE C-60 | 2-DIMENSIONAL POLYMER | CHEMISTRY, PHYSICAL | X-RAY-DIFFRACTION | BULK MODULUS | INDUCED DIMERIZATION | CARBON NANOTUBES | ELECTRONIC-STRUCTURE
Journal Article
Nature Chemistry, ISSN 1755-4330, 10/2016, Volume 8, Issue 10, pp. 953 - 957
The cavity inside fullerenes provides a unique environment for the study of isolated atoms and molecules. We report the encapsulation of hydrogen fluoride... 
DIATOMIC-MOLECULES | DENSITY | HYDROGEN-FLUORIDE | FULLERENE C-60 | H2O-AT-C-60 | C60 CAGE | WATER MOLECULE | C-70 | CHEMISTRY, MULTIDISCIPLINARY | SCATTERING
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 11/2008, Volume 130, Issue 47, pp. 15800 - 15800
New endohedral fullerene C-70 encapsulating one and two H-2 molecules) has been synthesized by organic reactions, the so-called "molecular surgery" method, and... 
HYDROGEN | NMR-SPECTROSCOPY | C-60 | H-2-AT-C-60 | DERIVATIVES | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 12/2017, Volume 147, Issue 24, p. 244303
We present a five-dimensional potential energy surface (PES) for the HF@C-60 system computed at the DF-LMP2/cc-pVTZ level of theory. We also calculated a... 
HYDROGEN | FULLERENE C-60 | SINGLE WATER MOLECULE | H2O-AT-C-60 | SPECTROSCOPY | ENCAPSULATION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ROTATIONAL SPECTRUM | INELASTIC NEUTRON-SCATTERING | H-2-AT-C-60 | SYMMETRY-BREAKING
Journal Article
Physical Review Letters, ISSN 0031-9007, 06/2004, Volume 92, Issue 24, pp. 1 - 245507
We have assembled molecular arrays of C-60 inside double-walled carbon nanotubes (DWNTs) with internal diameters of 11-26 Angstrom and directly observed the... 
PHYSICS, MULTIDISCIPLINARY | C-60
Journal Article
Physical Review Letters, ISSN 0031-9007, 05/2003, Volume 90, Issue 18, p. 187401/4
A new type of one-dimensional (1D) carbon structure, carbon nanowires (CNWs), was discovered in the cathode deposits prepared by hydrogen arc discharge... 
CLUSTERS | PHYSICS, MULTIDISCIPLINARY | C-60
Journal Article
Physical Review B - Condensed Matter and Materials Physics, ISSN 1098-0121, 05/2012, Volume 85, Issue 20
The quantum dynamics of dihydrogen molecules entrapped inside fullerene cages has been investigated using inelastic neutron scattering (INS). For the... 
HYDROGEN | PHYSICS, CONDENSED MATTER | NMR | SPECTROSCOPY | COMPLEXES | C-60 | H-2-AT-C-60
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 09/2017, Volume 139, Issue 38, pp. 13296 - 13299
Anion-pi interactions on fullerenes are about as poorly explored as the use of fullerenes in catalysis. However, strong exchange-correlation contributions and... 
NETWORK | CHEMISTRY | C-60 | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
by Ho, TH and Kawazoe, Y and Le, HM
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, ISSN 1463-9076, 03/2018, Volume 20, Issue 10, pp. 7007 - 7013
The endohedral complex system of Li+-C-60 has been shown to possess interesting applications in photovoltaics, supramolecular chemistry, and functionalized... 
INSERTION | LI-AT-C-60 | PHOTOINDUCED ELECTRON-TRANSFER | FULLERENE | COMPLEXES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | LI+AT-C-60 | COLLISION | C-60 | ABSORPTION | CHARGE-TRANSFER
Journal Article
Journal of Organic Chemistry, ISSN 0022-3263, 06/2017, Volume 82, Issue 11, pp. 5868 - 5872
Organic functionalization of lithium-ion-containing [60]fullerene, Li+@C-60, was performed by using diphenyl(diazo)methane as a stable, readily available diazo... 
PHOTOVOLTAIC CELLS | ORGANIC SOLAR-CELLS | ELECTRON-TRANSFER | FULLERENE C-60 | LI+ AT-C-60 | MOLECULAR-HYDROGEN | CHEMISTRY, ORGANIC | LI+AT-C-60 | CHARGE SEPARATION | METHANOFULLERENES | CRYSTAL
Journal Article
JOURNAL OF CHEMICAL PHYSICS, ISSN 0021-9606, 09/2014, Volume 141, Issue 9
We report an atomistic molecular dynamics determination of the phase diagram of a rigid-cage model of C-36. We first show that free energies obtained via... 
MONTE-CARLO | SOLID C-60 | FULLERENES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | RIGID C-60 MOLECULES | SIMULATION | MODEL C-60
Journal Article
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, ISSN 1433-7851, 2012, Volume 51, Issue 14, pp. 3377 - 3381
Rock solid: fullerene-encapsulated Li(+) (Li(+)@C(60)) is an alkaline cation owing to the spherical shape and positive charge. Li(+)@C(60) crystallizes as a... 
SUPERCONDUCTIVITY | LI-AT-C-60 | phase transitions | fullerenes | molecular devices | SOLID C60 | CHEMISTRY, MULTIDISCIPLINARY | ORDERING TRANSITION | lithium | FULLERENE C-60 | POWDER DIFFRACTION | DOPED AR-AT-C-60 | X-RAY | DYNAMICS | ENDOHEDRAL METALLOFULLERENE | electrostatic interactions
Journal Article
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