نتایج جستجو برای: nearest neighboring molecules
تعداد نتایج: 248407 فیلتر نتایج به سال:
It is demonstrated that surface vibrational spectroscopy can be used to probe local ordering of adsorbates and the nature of inter-adsorbate interactions through dynamical dipole coupling among neighboring adsorbates. Our studies show that for CO adsorbed on Cu(100), first and second nearest neighbor interactions are repulsive. This repulsion prevents the formation of long range ordered structu...
This paper describes our English patent mining system for NTCIR-7 patent mining task which maps a research paper abstract into IPC taxonomy. Our system is basically under the k-Nearest Neighboring framework, in which various similarity calculation and ranking methods are used. We employ two re-ranking techniques to improve the performance by the use of richer features. Our systems performed wel...
A model of rods with heads of variable size, which are confined to a planar surface, is used to study the influence of the head group size on tilted phases in Langmuir monolayers. Simple free energy considerations as well as exact zero temperature calculations indicate that molecules with small head groups tilt towards next nearest neighbors, and molecules with larger head groups towards neares...
Methods for functionalizing micrometer-sized colloidal spheres with three or more zones of chemical functionality (ABA or ABC) are described. To produce ABA triblock colloids, we functionalized the north pole, south pole, and equator to produce what we call X, Y, and K functionality according to the number of allowed nearest neighbors and their spatial arrangements. These synthesis methods allo...
Organic/inorganic interfaces play a crucial role in organic electronic devices such as organic field effect transistors (OFETs), organic light emitting diodes (OLEDs) and organic photovoltaics (OPVs). The properties of organic thin-film transistors depend on the transport of charges induced at the semiconductor/gate insulator interface. Structural defects near this interface influence the charg...
A model of rods with heads of variable size, which are con ned to a planar surface, is used to study the in uence of the head group size on tilted phases in Langmuir monolayers. Simple free energy considerations as well as exact zero temperature calculations indicate that molecules with small head groups tilt towards next nearest neighbors, and molecules with larger head groups towards nearest ...
Nearest neighbor-finding is one of the most important spatial operations in the field of spatial data structures concerned with proximity. Because the goal of the space-filling curves is to preserve the spatial proximity, the nearest neighbor queries can be handled by these space-filling curves. When data is ordered by the Peano curve, we can directly compute the sequence numbers of the neighbo...
Recently manifold learning algorithm for dimensionality reduction attracts more and more interests, and various linear and nonlinear, global and local algorithms are proposed. The key step of manifold learning algorithm is the neighboring region selection. However, so far for the references we know, few of which propose a generally accepted algorithm to well select the neighboring region. So in...
Water-mediated ligand interactions are essential to biological processes, from product displacement in thymidylate synthase to DNA recognition by Trp repressor, yet the structural chemistry influencing whether bound water is displaced or participates in ligand binding is not well characterized. Consolv, employing a hybrid k-nearest-neighbors classifier/genetic algorithm, predicts bound water mo...
Thermal treatment of MgO-loaded Ir nanoparticles or Ir(OAc)3 formed Ir–MgO solid solutions. The valence in the solution was 3 +, as evidenced by L3-edge XANES combined with XPS analysis. A slight contraction Ir–O bond distance observed compared to that nearest neighboring Mg–O MgO. dispersion exhibited a two-spike pattern depending on temperature owing formation and successive segregation
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