Results 11 to 20 of about 85,160 (331)
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2023 Due to the high practical significance and, as a consequence, active study of carbon nanomaterials, the question of methods for investigating their physicochemical, in particular, thermodynamic properties is relevant.
A.R. El Zanin +5 more
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Matching Polynomial-Based Similarity Matrices and Descriptors for Isomers of Fullerenes
Inorganics, 2023 I have computed the matching polynomials of a number of isomers of fullerenes of various sizes with the objective of developing molecular descriptors and similarity measures for isomers of fullerenes on the basis of their matching polynomials.
Krishnan Balasubramanian
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Physical Chemistry Chemical Physics, 2023 The lowest energy carbon cluster composed of 3840 atoms is a single shell fullerene. Above size N = 104 onions have lower ground state energies.
Michael Gatchell +2 more
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In silico investigation on sensing of tyramine by boron and silicon doped C60 fullerenes
Scientific Reports, 2023 The present communication deals with the adsorption of tyramine neurotransmitter over the surface of pristine, Boron (B) and Silicon (Si) doped fullerenes.
S. Pattanaik +13 more
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Methodological Investigation for Hydrogen Addition to Small Cage Carbon Fullerenes
Crystals, 2021 Hydrogenated small fullerenes (Cn, n < 60) are of interest as potential astrochemical species, and as intermediates in hydrogen-catalysed fullerene growth.
Yuri Tanuma, Toru Maekawa, Chris Ewels
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Unique Crystallization of Fullerenes: Fullerene Flowers [PDF]
Scientific Reports, 2016 AbstractSolution-phase crystallization of fullerene molecules strongly depends on the types of solvent and their ratios because solvent molecules are easily included in the crystal lattice and distort its structure. The C70(solute)–mesitylene (solvent) system yields crystals with various morphologies and structures, such as cubes, tubes, and imperfect ...
Kim, J +5 more
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The Generation of Fullerenes [PDF]
, 2012 We describe an efficient new algorithm for the generation of fullerenes. Our implementation of this algorithm is more than 3.5 times faster than the previously fastest generator for fullerenes -- fullgen -- and the first program since fullgen to be ...
Albertazzi E. +22 more
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Magnetic silicon fullerene [PDF]
Physical Chemistry Chemical Physics, 2010 A metal-encapsulating silicon fullerene, Eu@Si20, has been predicted by density functional theory to be by far the most stable fullerene-like silicon structure. The Eu@Si20 structure is a dodecahedron with D2h symmetry in which the europium atom occupies the center site.
Wang, Jing, Liu, Ying, Li, You-Cheng
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Fullerenes, PAHs, Amino Acids and High Energy Astrophysics
Acta Polytechnica CTU Proceedings, 2014 We present theoretical, observational and laboratory work on the spectral properties of fullerenes and hydrogenated fullerenes. Fullerenes in its various forms (individual, endohedral, hydrogenated, etc.) can contribute to the UV bump in the extinction ...
Susana Iglesias-Groth
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Biocatalysts based on complexes of carbon nanomaterials with cysteine proteases
Конденсированные среды и межфазные границы, 2023 The purpose of the research is to develop and study biocatalysts based on complexes of cysteine proteases with fullerenes and carbon nanotubes. During the formation of ficin complexes with fullerenes and carbon nanotubes, the activity of hybrid ...
Svetlana S. Goncharova +4 more
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