نتایج جستجو برای: activated free energies of electron transfer
تعداد نتایج: 21281656 فیلتر نتایج به سال:
among the low–dimensional allotropes of carbon, nanotubes and graphene have attracted very much attention from nano–science and nanotechnology specialists. they have been proposed as building blocks in nanometer device engineering. however, these structures are not defect–free. in this thesis, we focused on defective carbon nanotubes and graphene, and studied the effect of couple of very common...
Up to now, various empty carbon fullerenes with different magic number "n", such as C10, Cow Cm, Cso,Cis** Cm and so on. have been obtained. The calix[n]arenes are a class of chalice-like rnacrocyclicmolecules that have attracted widespread attention as complex molecules with liquid crystal behaviors.These classes of compounds are cyclic ohgomers synthessid by condensation of a para-alkylated p...
due to the limiting workspace of parallel manipulator and regarding to finding the trajectory planning of singularity free at workspace is difficult, so finding a best solution that can develop a technique to determine the singularity-free zones in the workspace of parallel manipulators is highly important. in this thesis a simple and new technique are presented to determine the maximal singula...
in this thesis, a better reaction conditions for the synthesis of spirobarbiturates catalyzed by task-specific ionic liquid (2-hydroxy-n-(2-hydroxyethyl)-n,n-dimethylethanaminium formate), calcium hypochlorite ca(ocl)2 or n-bromosuccinimide (nbs) in the presence of water at room temperature by ultrasonic technique is provided. the design and synthesis of spirocycles is a challenging task becaus...
in this thesis, first the notion of weak mutual associativity (w.m.a.) and the necessary and sufficient condition for a $(l,gamma)$-associated hypersemigroup $(h, ast)$ derived from some family of $lesssim$-preordered semigroups to be a hypergroup, are given. second, by proving the fact that the concrete categories, semihypergroups and hypergroups have not free objects we will introduce t...
in this investigation the effect of external field on the electron density of nanostructures of cds, cdse, cdte, gaas and polymeric structure of three, four, five and six units of cds as a kind of nanosolar cells has been studied theoretically. as modeling this system in nanodimension, molecular structures has used. specific properties of molecular structures permit us to consider different sym...
Electron transfer between the title compounds and their radical cations, which were generated by photoinduced electron transfer from the sulfides to excited 2,4,6-triphenylpyrylium cations, was investigated by time-resolved measurements of chemically induced dynamic nuclear polarization (CIDNP) in acetonitrile. The strongly negative activation entropies provide evidence for an associative-disso...
Using field-theoretic techniques, we develop a molecularly based dipolar self-consistent-field theory (DSCFT) for charge solvation in pure solvents under equilibrium and nonequilibrium conditions and apply it to the reorganization energy of electron transfer reactions. The DSCFT uses a set of molecular parameters, such as the solvent molecule's permanent dipole moment and polarizability, thus a...
This paper presents a derivation of rate expressions for nonadiabatic proton-coupled electron transfer ~PCET! reactions in solution. The derivation is based on a multistate continuum theory in which the solvent is described by a dielectric continuum, the solute is represented by a multistate valence bond model, and the transferring proton~s! are treated quantum mechanically. In this formulation...
With NADPH as the electron donor, rat liver NADPH cytochrome P-450 reductase (NADPH:ferricytochrome oxidoreductase, EC 1.6.2.4) catalyzes the single-electron reduction of several quinone antibiotics to a semiquinone or free radical state. The benzanthraquinones adriamycin, daunorubicin, carminomycin, 7-O-methylnogalarol, and aclacinomycin A and the N-heterocyclic quinones streptonigrin and mito...
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