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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 (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
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
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
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
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
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
The Journal of Organic Chemistry, ISSN 0022-3263, 11/2017, Volume 82, Issue 21, pp. 11631 - 11635
The reaction of [Li+@C60]­TFSI– (TFSI = bis­(trifluoromethanesulfonyl)­imide) with 9-diazofluorene directly produced a [6,6]-adduct of lithium-ion-containing... 
CYCLOPROPANE | ELECTRON-TRANSFER | LI+ AT-C-60 | TETRATHIAFULVALENE | REDUCTION | CHEMISTRY, ORGANIC | LI+AT-C-60 | C-60 | Usage | Chemical properties | Chemical synthesis | Methyl groups
Journal Article
The 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+@C60, was performed by using diphenyl­(diazo)­methane as a stable, readily available... 
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, 04/2012, Volume 51, Issue 14, pp. 3377 - 3381
Rock solid: Fullerene‐encapsulated Li+ (Li+@C60) is an alkaline cation owing to the spherical shape and positive charge. Li+@C60 crystallizes as a... 
lithium | phase transitions | fullerenes | molecular devices | electrostatic interactions | SUPERCONDUCTIVITY | LI-AT-C-60 | SOLID C60 | CHEMISTRY, MULTIDISCIPLINARY | ORDERING TRANSITION | FULLERENE C-60 | POWDER DIFFRACTION | DOPED AR-AT-C-60 | X-RAY | DYNAMICS | ENDOHEDRAL METALLOFULLERENE
Journal Article
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, ISSN 1433-7851, 03/2017, Volume 56, Issue 10, pp. 2758 - 2762
Methanol (CH3OH) and formaldehyde (H2CO) molecules were inserted into an open-cage C-60 derivative with a large opening, under high-pressure and... 
RAMAN-SPECTRA | open-cage C-60 | MOLECULAR-HYDROGEN | ACETYLENE | COMPLEXES | fullerenes | host-guest chemistry | H-2-AT-C-60 | CHEMISTRY, MULTIDISCIPLINARY | carbon nanomaterials | X-ray crystallography | FULLERENE C-60 | MILD CONDITIONS | ORIFICE | ATTRACTION | WATER
Journal Article
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