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31.
R. F. Polishchuk 《Bulletin of the Lebedev Physics Institute》2013,40(3):62-67
This study is a direct continuation of previous work [1]. 相似文献
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R. F. Polishchuk 《Bulletin of the Lebedev Physics Institute》2012,39(8):226-228
The hypothesis of friedmons, the particles of mass 1.53 · 10?15 g, as candidates to dark matter particles is presented. Friedmons are stable bicolor lepton structures corresponding to exact symmetry group SU(2), the dual group of electroweak interaction. Similarly to the fact that the nucleon mass is related to the average star mass, the friedmon mass is related to the mass of the Metagalaxy whose metric is close to the de Sitter metric and which can be qualitatively considered as a white hole with an event horizon defined by the cosmological constant. 相似文献
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The growth of silver whisker nanocrystals (WNCs) on the surface of an AgI film deposited by laser ablation is studied on a Zeiss Merlin scanning electron microscope. The chemical composition of WNCs is determined by electron-probe microanalysis. The growth rate of WNCs is estimated. Possible WNC growth mechanisms under the action of an electron beam are considered. 相似文献
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Ilya G. Ryabinkin Viktor N. Staroverov 《International journal of quantum chemistry》2013,113(11):1626-1632
The differential virial theorem (DVT) is an explicit relation between the electron density ρ( r ), the external potential, kinetic energy density tensor, and (for interacting electrons) the pair function. The time‐dependent generalization of this relation also involves the paramagnetic current density. We present a detailed unified derivation of all known variants of the DVT starting from a modified equation of motion for the current density. To emphasize the practical significance of the theorem for noninteracting electrons, we cast it in a form best suited for recovering the Kohn–Sham effective potential vs( r ) from a given electron density. The resulting expression contains only ρ( r ), vs( r ), kinetic energy density, and a new orbital‐dependent ingredient containing only occupied Kohn–Sham orbitals. Other possible applications of the theorem are also briefly discussed. © 2012 Wiley Periodicals, Inc. 相似文献
40.
P. G. Polishchuk T. I. Madzhidov A. Varnek 《Journal of computer-aided molecular design》2013,27(8):675-679
The goal of this paper is to estimate the number of realistic drug-like molecules which could ever be synthesized. Unlike previous studies based on exhaustive enumeration of molecular graphs or on combinatorial enumeration preselected fragments, we used results of constrained graphs enumeration by Reymond to establish a correlation between the number of generated structures (M) and the number of heavy atoms (N): logM = 0.584 × N × logN + 0.356. The number of atoms limiting drug-like chemical space of molecules which follow Lipinsky’s rules (N = 36) has been obtained from the analysis of the PubChem database. This results in M ≈ 1033 which is in between the numbers estimated by Ertl (1023) and by Bohacek (1060). 相似文献