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The water‐exchange mechanism of [UO2(OH2)5]2+ has been reinvestigated by using ab initio molecular orbital (MO) methods. The geometries and the vibrational frequencies were computed with CAS‐SCF(12/11)‐SCRF and CAS‐SCF(12/11)‐PCM methods, which take into a ...
With the sequencing and annotation of the entire genomes of numerous microorganisms has come the advent of the genome scale metabolic models such as the iJR904 model of E. coli from Palsson and coworkers. Metabolic flux anal. (MFA) is widely employed to ge ...
In this paper, we present a generative model based approach to solve the multi-view stereo problem. The input images are considered to be generated by either one of two processes: (i) an inlier process, which generates the pixels which are visible from the ...
Genome-scale metabolic models are an invaluable tool for analyzing metabolic systems as they provide a more complete picture of the processes of metab. The authors have constructed a genome-scale metabolic model of Escherichia coli based on the iJR904 mode ...
An experimental setup to study the pH dependence of standard ion-transfer potentials at the water/NPOE interface is presented. The system is composed of a micro-hole generated by laser photoablation in a 12-μm polyethylene terephthalate film, the aqueous p ...
The driving force for organo- or lithotrophic growth as well as for each step in the metabolic network is the Gibbs reaction energy. For each enzymic step it must be neg. Thermodn. contributes therefore to the in-silico description of living systems. It ma ...
We have developed a simple and quant. explanation for the relatively low melting temps. of ionic liqs. (ILs). The basic concept was to assess the Gibbs free energy of fusion (ΔfusG) for the process IL(s) -> IL(l), which relates to the m.p. ...
The heterodimer formed by electrostatic association of zinc(II) meso-tetrakis(N-methylpyridyl)porphyrin (ZnTMPyP) and zinc(II) meso-tetrakis(p-sulfonatophenyl)porphyrin (ZnTPPS) exhibits a strong affinity for the interface between water and 1,2-dichloroeth ...
This paper presents a novel algorithm for robust object recognition. We propose to model the visual appearance of objects via probability density functions. The algorithm consists of a fully connected Markov random field with energy function derived from r ...
We introduce a three-dimensional (3-D) parametric active contour algorithm for the shape estimation of DNA molecules from stereo cryo-electron micrographs. We estimate the shape by matching the projections of a 3-D global shape model with the micrographs; ...