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The multicenter bonding pattern of the intriguing hexa-, hepta-, and octacoordinate boron wheel series (e.g., CB62-, CB7-, B-8(2-), and SiB8 as well as the experimentally detected CB7-, isomer) is revised using the block-localized wave function analyzed by ...
Digital holographic interferometry (DHI) involves multi-directional illumination of an object to measure the in-plane and out-of plane displacements simultaneously. This results in multiple interference phases which have to be reliably estimated. The paper ...
We present the development of ANISORROPIA, the discrete adjoint of the ISORROPIA thermodynamic equilibrium model that treats the Na +-SO 4 2- HSO 4 -NH 4 +-NO 3 -Cl -H 2O aerosol system, and we demonstrate its sensitivity analysis capabilities. ANISORROPIA ...
Of the many external factors that affect cell behavior, mechanical cues are fundamental in modulating a cell’s phenotype. Biomimetic mechanosensing requires the three-dimensional encapsulation of cells within a controlled microenvironment. As musculoskelet ...
We present an extension of cross-recurrence analysis for dual gaze analysis which is suited for complex situations where for instance the objects of interest are not all visible at all times or when stimulus exploration is not homogeneous. The typicical si ...
Siloxides can support U! in the reduction of small molecules with uranium complexes. The treatment of [UN(SiMe3)23] with HOSi(OtBu)3 (3 equiv) yielded a novel homoleptic uranium(III) siloxide complex 1, which acted as a two-electron reducing agent toward C ...
The goal of creating machines that autonomously perform useful work in a safe, robust and intelligent manner continues to motivate robotics research. Achieving this autonomy requires capabilities for understanding the environment, physically interacting wi ...
We present a comparison of the most common finite-size supercell correction schemes for charged defects in density functional theory calculations. Considered schemes include those proposed by Makov and Payne (MP), Lany and Zunger (LZ), and Freysoldt, Neuge ...
The paper reports on a graphical user interface developed in MATLAB to aid the visualization of the plane wave impinging from a lossless half-space onto a multilayer structure. Individual layers are assumed to be homogeneous and isotropic with electric per ...
This work is concerned with numerical methods for matrix eigenvalue problems that are nonlinear in the eigenvalue parameter. In particular, we focus on eigenvalue problems for which the evaluation of the matrix-valued function is computationally expensive. ...