Direct mapping of the angle-dependent barrier to reaction for Cl + CHD3 using polarized scattering data

2017 ◽  
Vol 9 (12) ◽  
pp. 1175-1180 ◽  
Author(s):  
Huilin Pan ◽  
Fengyan Wang ◽  
Gábor Czakó ◽  
Kopin Liu
1994 ◽  
Vol 4 (8) ◽  
pp. 1289-1298
Author(s):  
S. Ciccariello ◽  
Y. Hassan
Keyword(s):  

2011 ◽  
Author(s):  
Gavin A. Steininger ◽  
Stan E. Dosso ◽  
Jan Dettmer ◽  
Charles W. Holland

2012 ◽  
Author(s):  
Gavin A. Steininger ◽  
Stan E. Dosso ◽  
Jan Dettmer ◽  
Charles W. Holland

Author(s):  
Eaton E. Lattman ◽  
Thomas D. Grant ◽  
Edward H. Snell

Direct electron density determination from SAXS data opens up new opportunities. The ability to model density at high resolution and the implicit direct estimation of solvent terms such as the hydration shell may enable high-resolution wide angle scattering data to be used to calculate density when combined with additional structural information. Other diffraction methods that do not measure three-dimensional intensities, such as fiber diffraction, may also be able to take advantage of iterative structure factor retrieval. While the ability to reconstruct electron density ab initio is a major breakthrough in the field of solution scattering, the potential of the technique has yet to be fully uncovered. Additional structural information from techniques such as crystallography, NMR, and electron microscopy and density modification procedures can now be integrated to perform advanced modeling of the electron density function at high resolution, pushing the boundaries of solution scattering further than ever before.


Author(s):  
Eaton E. Lattman ◽  
Thomas D. Grant ◽  
Edward H. Snell

In this chapter we note that solution scattering data can be divided into four regions. At zero scattering angle, the scattering provides information on molecular weight of the particle in solution. Beyond that, the scattering is influenced by the radius of gyration. As the scattering angle increases, the scattering is influenced by the particle shape, and finally by the interface with the particle and the solution. There are a number of important invariants that can be calculated directly from the data including molecular mass, radius of gyration, Porod invariant, particle volume, maximum particle dimension, particle surface area, correlation length, and volume of correlation. The meaning of these is described in turn along with their mathematical derivations.


2021 ◽  
Vol 2021 (6) ◽  
Author(s):  
Zhengwen Liu ◽  
Rafael A. Porto ◽  
Zixin Yang

Abstract Building upon the worldline effective field theory (EFT) formalism for spinning bodies developed for the Post-Newtonian regime, we generalize the EFT approach to Post-Minkowskian (PM) dynamics to include rotational degrees of freedom in a manifestly covariant framework. We introduce a systematic procedure to compute the total change in momentum and spin in the gravitational scattering of compact objects. For the special case of spins aligned with the orbital angular momentum, we show how to construct the radial action for elliptic-like orbits using the Boundary-to-Bound correspondence. As a paradigmatic example, we solve the scattering problem to next-to-leading PM order with linear and bilinear spin effects and arbitrary initial conditions, incorporating for the first time finite-size corrections. We obtain the aligned-spin radial action from the resulting scattering data, and derive the periastron advance and binding energy for circular orbits. We also provide the (square of the) center-of-mass momentum to $$ \mathcal{O}\left({G}^2\right) $$ O G 2 , which may be used to reconstruct a Hamiltonian. Our results are in perfect agreement with the existent literature, while at the same time extend the knowledge of the PM dynamics of compact binaries at quadratic order in spins.


2021 ◽  
Vol 11 (4) ◽  
pp. 1953
Author(s):  
Francisco Martín ◽  
Fernando González ◽  
José Miguel Guerrero ◽  
Manuel Fernández ◽  
Jonatan Ginés

The perception and identification of visual stimuli from the environment is a fundamental capacity of autonomous mobile robots. Current deep learning techniques make it possible to identify and segment objects of interest in an image. This paper presents a novel algorithm to segment the object’s space from a deep segmentation of an image taken by a 3D camera. The proposed approach solves the boundary pixel problem that appears when a direct mapping from segmented pixels to their correspondence in the point cloud is used. We validate our approach by comparing baseline approaches using real images taken by a 3D camera, showing that our method outperforms their results in terms of accuracy and reliability. As an application of the proposed algorithm, we present a semantic mapping approach for a mobile robot’s indoor environments.


RSC Advances ◽  
2021 ◽  
Vol 11 (15) ◽  
pp. 8619-8627
Author(s):  
I. E. Grey ◽  
P. Bordet ◽  
N. C. Wilson

Amorphous titania samples prepared by ammonia solution neutralization of titanyl sulphate have been characterized by chemical and thermal analyses, and with reciprocal-space and real-space fitting of wide-angle synchrotron X-ray scattering data.


Author(s):  
Jan Bohr

AbstractNon-abelian X-ray tomography seeks to recover a matrix potential $$\Phi :M\rightarrow {\mathbb {C}}^{m\times m}$$ Φ : M → C m × m in a domain M from measurements of its so-called scattering data $$C_\Phi $$ C Φ at $$\partial M$$ ∂ M . For $$\dim M\ge 3$$ dim M ≥ 3 (and under appropriate convexity and regularity conditions), injectivity of the forward map $$\Phi \mapsto C_\Phi $$ Φ ↦ C Φ was established in (Paternain et al. in Am J Math 141(6):1707–1750, 2019). The present article extends this result by proving a Hölder-type stability estimate. As an application, a statistical consistency result for $$\dim M =2$$ dim M = 2 (Monard et al. in Commun Pure Appl Math, 2019) is generalised to higher dimensions. The injectivity proof in (Paternain et al. in Am J Math 141(6):1707–1750, 2019) relies on a novel method by Uhlmann and Vasy (Invent Math 205(1):83–120, 2016), which first establishes injectivity in a shallow layer below $$\partial M$$ ∂ M and then globalises this by a layer stripping argument. The main technical contribution of this paper is a more quantitative version of these arguments, in particular, proving uniform bounds on layer depth and stability constants.


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