نتایج جستجو برای: sigma bond

تعداد نتایج: 93641  

Journal: :Romanian journal of morphology and embryology = Revue roumaine de morphologie et embryologie 2015
Anamaria Florescu Ion Cristian Efrem Cerasela Haidoiu Radu Hertzog Florentina Cornelia Bîcleşanu

The purpose of this study was in vitro evaluation and comparison of the adhesion of self-etch (SE) adhesive systems applied on normal and sclerotic dentin. For this study, Class 5 cavities were prepared on sound teeth as well as on teeth with sclerotic dentin. They were then restored by means of the SE 2-step OptiBond XTR (Kerr) and SE 1-step Bond Force (Tokuyama Dental) adhesive systems, as we...

Journal: :Journal of hazardous materials 2002
M C Hsiao H Paul Wang Y L Wei Juu En Chang C J Jou

The speciation of copper and zinc in the incineration fly ash of a municipal solid waste in Taiwan was investigated in the present work. By the least-squares fitted X-ray absorption near edge structural (XANES) spectroscopy, we found that CuCO3, CuOH2, and CuO (fractions of 0.09, 0.39 and 0.51, respectively) were the main copper species in the fly ash. Quantitative analysis of the extended X-ra...

This paper presents a comparative analysis between two current control strategies, constant source power and generalized Fryze current, used in Active Power Filter (APF) applications having three different modulation methods. The Hysteresis Band (HB) and first-order Delta-Sigma Modulation (DSM) as well as the second-order DSM is applied. The power section of the active power filter is viewed as...

Journal: :The journal of physical chemistry. A 2005
Hung-Cheng Chen Chao-Ping Hsu

To calculate electronic couplings for photoinduced electron transfer (ET) reactions, we propose and test the use of ab initio quantum chemistry calculation for excited states with the generalized Mulliken-Hush (GMH) method. Configuration-interaction singles (CIS) is proposed to model the locally excited (LE) and charge-transfer (CT) states. When the CT state couples with other high lying LE sta...

Journal: :Proceedings of the National Academy of Sciences of the United States of America 1993
D Missiakas C Georgopoulos S Raina

We have identified and characterized the Escherichia coli gene dsbB, whose product is required for disulfide bond formation of periplasmic proteins, by using two different approaches: (i) screening of a multicopy plasmid library for clones which protect E. coli from the lethal effects of dithiothreitol (DTT), and (ii) screening of insertion libraries of E. coli for DTT-sensitive mutants. Mappin...

Journal: :Journal of the American Chemical Society 2002
Xiaolan Yao Mei Hong

We present a new method for determining the orientation of chemical shift tensors in polycrystalline solids with site resolution and demonstrate its application to the determination of the Calpha chemical shift tensor orientation in a model peptide with beta-sheet torsion angles. The tensor orientation is obtained under magic angle spinning by modulating a recoupled chemical shift anisotropy (C...

Journal: :The journal of physical chemistry. B 2005
Timo Jacob William A Goddard

We used the B3LYP flavor of density functional theory (DFT) to study the chemisorption of all CH(x) and C(2)H(y) intermediates on the Pt(111) surface. The surface was modeled with the 35 atom Pt(14.13.8) cluster, which was found to be reliable for describing all adsorption sites. We find that these hydrocarbons all bind covalently (sigma-bonds) to the surface, in agreement with the studies by K...

Journal: :Journal of computer-aided molecular design 2001
María L. López-Rodríguez Marta Murcia Bellinda Benhamú Mireia Olivella Mercedes Campillo Leonardo Pardo

A computational model of the transmembrane domain of the human 5-HT4 receptorcomplexed with the GR113808 antagonist was constructed from the crystal structure of rhodopsin and the putative residues of the ligand-binding site, experimentally determined by site-directed mutagenesis. The recognition mode of GR113808 consist of: (i) the ionic interaction between the protonated amine and Asp3.32; (i...

Let $G$ be a finite group. The automorphism $sigma$ of a group $G$ is said to be an absolute central automorphism, if for all $xin G$, $x^{-1}x^{sigma}in L(G)$, where $L(G)$ be the absolute centre of $G$. In this paper, we study  some properties of absolute central automorphisms of a given finite $p$-group.

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