نتایج جستجو برای: theoretical reduction potential

تعداد نتایج: 1755396  

Journal: :Chemical communications 2012
Siu Yee New Nicholas M Marshall T S Andy Hor Feng Xue Yi Lu

The same non-covalent interactions previously found to affect the redox potential (E(m)) of the mononuclear T1 Cu protein azurin (Az) are shown to also fine-tune the E(m) of the dinuclear Cu(A) center in the same Az protein scaffold. The effects of these mutations are in the same direction but with smaller magnitude in the Cu(A) site, due to dissipation of the effects by the dinuclear Cu(A) cen...

Journal: :Physical review letters 2011
A Droghetti S Sanvito

We demonstrate that the critical temperature for valence tautomeric interconversion in cobalt dioxolene complexes can be significantly changed when a static electric field is applied to the molecule. This is achieved by effectively manipulating the redox potential of the metallic acceptor forming the molecule. Importantly, our accurate density functional theory calculations demonstrate that alr...

Journal: :Faraday discussions 2006
Elizabeth Tran Marco Duati George M Whitesides Maria A Rampi

We have assembled two junctions that incorporate redox sites between Hg electrodes by different interactions. In the first junction, Hg-SAM-R//R-SAM-Hg, the redox site (R) are covalently linked to each electrode in self assembled monolayers (SAM-R). In the second junction, Hg-SAM//R//SAM-Hg, the redox sites dissolved in solution are trapped by electrostatic interaction at the SAM formed at the ...

Journal: :The Journal of chemical physics 2004
Minoru Yoshimoto Hiroyuki Shirahama Shigeru Kurosawa Masayoshi Naito

It was found that the periodic change of the solution viscosity and density was generated in the Belousov-Zhabotinsky (BZ) reaction. This rhythmic phenomenon was observed in both the iron catalyst [[Fe(Phen)(3)](2+)-[Fe(Phen)(3)](3+)] and the cerium catalyst [Ce(III)-Ce(IV)] system, where the solution viscosity and density were synchronized with the redox potential in the in-phase mode. However...

Journal: :Nanoscale 2012
Daniele Selli Matteo Baldoni Antonio Sgamellotti Francesco Mercuri

The possibility of tuning the electronic properties of graphene by tailoring the morphology at the nanoscale or by chemical functionalization opens interesting perspectives towards the realization of devices for nanoelectronics. Indeed, the integration of the intrinsic high carrier mobilities of graphene with functionalities that are able to react to external stimuli allows in principle the rea...

Journal: :Journal of the American Chemical Society 2004
Nicholas Leventis Jinhua Yang Eve F Fabrizio Abdel-Monem M Rawashdeh Woon Su Oh Chariklia Sotiriou-Leventis

We report the redox properties of four star systems incorporating the 4-benzoyl-N-alkylpyridinium cation; the redox potential varies along the branches but remains constant at fixed radii. Bulk electrolysis shows that at a semi-infinite time scale all redox centers are electrochemically accessible. However, voltammetric analysis (cyclic voltammetry and differential pulse voltammetry) shows that...

2013
Krishna Kant Sharma Bhuvnesh Shrivastava V. R. B. Sastry Neeta Sehgal Ramesh Chander Kuhad

The variables influencing laccase production by white-rot fungus Ganoderma sp. rckk-02 were optimized employing response surface methodology. Malt extract (6.0% w/v), lignin (0.5% w/v) and pH (5.5) were found to be the most significant factors for enhanced laccase production by 7 fold (226.0 U/ml) as compared to unoptimized growth conditions (32.0 U/ml). The N-terminal sequence of laccase revea...

2016
Kristina Wedege Emil Dražević Denes Konya Anders Bentien

Organic molecules are currently investigated as redox species for aqueous low-cost redox flow batteries (RFBs). The envisioned features of using organic redox species are low cost and increased flexibility with respect to tailoring redox potential and solubility from molecular engineering of side groups on the organic redox-active species. In this paper 33, mainly quinone-based, compounds are s...

Journal: :journal of physical and theoretical chemistry 0
mehdi nabati chemistry department, faculty of science, azarbaijan shahid madani university, tabriz, iran

in present study, the density functional theory (dft-b3lyp) method with svp basis set was used for optimizing and studying the electronic structural properties of cis and trans isomers of bis-(5-nitro-2h-tetrazolato-n2) tetraammine cobalt (iii) perchlorate (bncp) as powerful explosives at 298.15 k temperature and 1 atmosphere pressure. and also, natural bond orbital (nbo) population analysis an...

2007
Dun Pan Xiaolei Zuo Ying Wan Lihua Wang Jiong Zhang Shiping Song Chunhai Fan

In this work, we reported a systematic investigation on the interactions betweenmethylene blue (MB) and surface-confined DNA by using electrochemical methods. Wedemonstrated that the redox potential of MB and binding and dissociation kinetics of MB toDNA differed significantly for single-stranded DNA (ss-DNA) and double-stranded DNA(ds-DNA) immobilized on gold electrodes. This was possibly due ...

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