Comparing C 60 + and (H 2 O) n + clusters for mouse brain tissue analysis
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چکیده
منابع مشابه
Structure and Energetics of Ionized Water Clusters : ( H 2 O ) n + , n ) 2 - 5
Energetics and geometrical structures of neutral, (H2O)n, and ionized, (H2O)n, water clusters, with n ) 2-5, are investigated using local-spin-density functional electronic structure calculations with exchange-correlation gradient corrections. While the ground-state structures of the neutral clusters are hydrogen-bonded cyclic ones, those of the molecular ions are noncyclic. The lowest energy i...
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The dissociative photodetachment of O2 (H2O)n51 – 6 was studied at 388 and 258 nm using photoelectron–multiple-photofragment coincidence spectroscopy. Photoelectron spectra for the series indicate a significant change in the energetics of sequential solvation beyond the fourth water of hydration. Photoelectron–photofragment kinetic energy correlation spectra were also obtained for O2 (H2O)1 – 2...
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Several semiempirical methods were utilized to analyze the structures and stabilities of X(H2O)n (X = F, Cl; n = 1–4) clusters with respect to the number of water molecules through their comparison with ab initio molecular orbital calculations. Our results show that the recently developed PM6-DH+ semiempirical method can provide reasonable binding energies of hydrated fluoride and chloride ion ...
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The study of the minimum Born–Oppenheimer structures of the protonated water clusters, H2O nH, is performed for n=20 and 21. The structures belonging to four basic morphologies are optimized at the Hartree–Fock, second-order many-body perturbation theory and coupled cluster level, with the 6–31G, 6-31G , and 6-311G basis sets, using the parallel ACES III program. The lowest energy structure for...
متن کاملTheoretical Investigation on Structural Properties of Ethylene Clusters (c 2 H 4 ) N (n ≤ 25)
Geometries of ethylene clusters (C 2 H 4) n in the range of n ≤ 25 are optimized with the intermolecular potential based on the ab initio calculations of the dimer. The heuristic method combined with geometrical perturbations is used for geometry optimization. Ethylene clusters do not take the icosahedral motif characteristic of some van der Waals molecular clusters. The structural evolution of...
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ژورنال
عنوان ژورنال: Surface and Interface Analysis
سال: 2014
ISSN: 0142-2421,1096-9918
DOI: 10.1002/sia.5597