Results 31 to 40 of about 43,636 (281)
Enumeration of a class of IPR hetero-fullerenes [PDF]
Journal of the Serbian Chemical Society, 2010 Hetero-fullerenes are fullerenes in which some of the carbon atoms are replaced by other atoms. This paper uses the Pólya theorem to count the number of their possible positional isomers and chiral isomers. To do this, the computer algebra system GAP was
ALI REZA ASHRAFI, MODJTABA GHORBANI
doaj
Modeling C540-C20 Fullerene Collisions
Reviews on Advanced Materials Science, 2018 Collisions of C20 and C540 fullerenes are studied in a wide range of velocities by means of classical molecular dynamics. The simulations show that the collision scenario strongly depends on the collision velocity of the fullerenes.
Rysaeva Leysan Kh. +4 more
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Formation of Water-Soluble Fullerenes [C60,C70] under Ultrasonication and Antioxidant Effect
Eurasian Chemico-Technological Journal, 2003 The water-soluble fullerenes [C60, C70] are prepared with fullerenes [C60, C70] and a mixture of oxidants (v/v) at the ratio of 3:1 under ultrasonic condition at room temperature.
Weon-Bae Ko +2 more
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Predicting the new carbon nanocages, fullerynes: a DFT study
Scientific Reports, 2021 In this study, based on density functional theory, we propose a new branch of pseudo-fullerenes which contain triple bonds with sp hybridization. We call these new nanostructures fullerynes, according to IUPAC.
Mohammad Qasemnazhand +2 more
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Progress in Antiviral Fullerene Research
Nanomaterials, 2022 Unlike traditional small molecule drugs, fullerene is an all-carbon nanomolecule with a spherical cage structure. Fullerene exhibits high levels of antiviral activity, inhibiting virus replication in vitro and in vivo.
Piao-Yang Xu +7 more
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MOLECULAR-DYNAMIC SIMULATION OF MIXTURES OF MODIFIED FULLERENES AND 1,8-OCTANDITHIOL
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2021 In this work, we report on the results of comparative atomistic modeling of two systems containing functionalized fullerenes of phenyl-C61-butyric acid methyl ester (PC61BM) and phenyl-C71-butyric acid (PC71BM) in the presence of a high-boiling solvent 1,
M.D. Malyshev, S.-H. Tung, P.V. Komarov
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Analyzing Electronic Excitations and Exciton Binding Energies in Y6 Films
Advanced Functional Materials, EarlyView.The Y6 molecule is used for increasing the efficiency of organic solar cells. The exciton binding energy is calculated for ensembles of Y6 molecules that are representative of the typically used films. The calculations show that the excitons typically spread out over many molecules.
Sahar Javaid Akram +2 more
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The ways to form fullerens structure exemplified by С28 and С30 isomers
St. Petersburg Polytechnical University Journal: Physics and MathematicsThe systematization of possible ways to form C28 and C30 fullerene isomers has been completed in this work. An additional confirmation was obtained that fullerenes created by incorporating dimers into the initial structure had a minimum energy. Two other
Matvienko Aleksandra
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Advanced Functional Materials, EarlyView.A lack of standard approaches for testing and reporting the performance of metal halide perovskites and organic semiconductor radiation detectors has resulted in inconsistent interpretation of performance parameters, impeding progress in the field. This Perspective recommends key metrics and experimental details, which are suggested for reporting in ...
Jessie A. Posar +8 more
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Journal of Applied Surfaces and Interfaces, 2021 Important electronic structure rules like Maximum Hardness Principle, Minimum Polarizability Principle, Minimum Electrophilicity Principle and Minimum Magnetizability Principle found many fields of the chemistry.
Savaş Kaya +3 more
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