نتایج جستجو برای: free energy of electron transfer

تعداد نتایج: 21330973  

Journal: :Physical chemistry chemical physics : PCCP 2010
Atsuro Takai Claude P Gros Jean-Michel Barbe Shunichi Fukuzumi

A tripod zinc porphyrin (TPZn(3)) forms a stable 1:1 complex with gold(III) tetra(4-pyridyl)porphyrin (AuTPyP(+)) and free-base tris(4-pyridyl)porphyrin (2H-Py(3)P) in nonpolar solvents. The strong binding of TPZn(3) with AuTPyP(+) or 2H-Py(3)P results from the encapsulation of AuTPyP(+) or 2H-Py(3)P inside the cavity of TPZn(3) through multiple coordination bonds, as indicated by UV-vis-NIR, E...

2002
Zengo Tsuboi

We propose a system of nonlinear integral equations (NLIE), which gives the free energy of the osp(1|2s) integrable spin chain at finite temperatures. In contrast with usual thermodynamic Bethe ansatz equations, our new NLIE contain only a finite number of unknown functions. On deriving NLIE, we use our osp(1|2s) version of the T system and the quantum transfer matrix method. Based on our NLIE,...

Journal: :International Journal of Nanomedicine 2007
Evon Powell Y-H Lee Richard Partch Donn Dennis Timothy Morey Manoj Varshney

The interaction of the important but often overdosed local anesthetic bupivacaine, its structural analogs 2,6-dimethylaniline, and N-methyl-2,6-dimethylacetanilide, and cocaine, with several electron deficient aromatic moieties were studied primarily by proton NMR and UV-visible spectroscopy. In solution, the anesthetic, its analogs and cocaine are electron donors and form pi-pi charge transfer...

2009
Kazuhiko MINAMI

A fractal set which corresponds to the six-vertex model has been obtained and a relationship between the free energy of the six-vertex model and the fractal dimension of the fractal set was established. Notions which correspond to the transfer matrix and the n-equivalence has been found in the area of the fractal geometry. This correspondence can be generalized to the case of the models suitabl...

Journal: :The Journal of chemical physics 2014
Tiejun Xiao Xueyu Song

Electron transfer near an electrode immersed in ionic fluids is studied using the linear response approximation, namely, mean value of the vertical energy gap can be used to evaluate the reorganization energy, and hence any linear response model that can treat Coulomb interactions successfully can be used for the reorganization energy calculation. Specifically, a molecular Debye-Hückel theory i...

2006
M. Pitkänen

In this chapter a general vision about new energy technologies provided by the new ontology forced by TGD is discussed, some evidence for the new ontology is considered, and models explaining some ”free energy” anomalies are discussed. There are close connections to the basic mechanisms of energy metabolism in living matter in TGD Universe and one cannot avoid even reference to TGD inspired qua...

1999
Alexander Soudackov Sharon Hammes-Schiffer

The theoretical study in this paper is based on the experimental result that the rate of photoinduced electron transfer is ∼102 times slower through a donor-(amidinium-carboxylate)-acceptor salt bridge than through the corresponding switched interface donor-(carboxylate-amidinium)-acceptor complex (Kirby, J. P.; Roberts, J. A.; Nocera, D. G. J. Am. Chem. Soc. 1997, 119, 9230). This experimental...

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه شیراز - دانشکده علوم 1390

در این پایان نامه، اثر استخلاف شدن فلزات مس، نقره و طلا بر روی پتانسیل کاهشی دو الکترونی کینون ها مورد مطالعه قرار گرفت. تمام ساختارها (125 فرم اکسید) با استفاده از روش b3lyp بهینه شدند. از توابع پایه lanl2dz برای فلزات و از 6-31+g** برای سایر اتم ها استفاده گردید. تست فرکانس برای تایید عدم فرکانس منفی و جهت بدست آوردن انرژی آزاد گیبس ترکیبات انجام شد. در اینجا نشان داده می شود که استخلاف شدن ف...

2007
Chunlai Chen Wenjuan Wang Zhang Wang Fang Wei Xin Sheng Zhao

Hybridization of nucleic acids with secondary structure is involved in many biological processes and technological applications. To gain more insight into its mechanism, we have investigated the kinetics of DNA hybridization/denaturation via fluorescence resonance energy transfer (FRET) on perfectly matched and single-base-mismatched DNA strands. DNA hybridization shows non-Arrhenius behavior. ...

Journal: :Chemical Physics Letters 2006

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