نتایج جستجو برای: activated free energies of electron transfer
تعداد نتایج: 21281656 فیلتر نتایج به سال:
The heme-containing cytochrome P450s exhibit isoform-dependent ferric spin equilibria in the resting state and differential substrate-dependent spin equilibria. The basis for these differences is not well understood. Here, magnetic circular dichroism (MCD) reveals significant differences in the resting low spin ligand field of CYPs 3A4, 2E1, 2C9, 125A1, and 51B1, which indicates differences in ...
We show that standard configuration interaction singles (CIS) has a systematic bias against charge-transfer (CT) states, wherein the computed vertical excitation energies for CT states are disproportionately too high (by >1 eV) as compared with non-CT states. We demonstrate this bias empirically for a set of chemical problems with both inter- and intra-molecular electron transfer, and then, for...
We present two models for electron-driven uphill proton transport across lipid membranes, with the electron energy converted to the proton gradient via the electrostatic interaction. In the first model, associated with the cytochrome c oxidase complex in the inner mitochondria membranes, the electrostatic coupling to the site occupied by an electron lowers the energy level of the proton-binding...
Heterogeneous electron transfer across interfaces is frequently discussed on the basis of Marcus Theory taking into account rearrangements of the solvent along a nuclear coordinate q. The electron transfer process itself occurs via tunnelling through a barrier normal to the interface. The key point is not whether tunnelling occurs, but whether thermally activated solvent fluctuations initiate t...
throughout this dissertation r is a commutative ring with identity and m is a unitary r-module. in this dissertation we investigate submodules of multiplication , prufer and dedekind modules. we also stat the equivalent conditions for which is ring , wher l is a submodule of afaithful multiplication prufer module. we introduce the concept of integrally closed modules and show that faithful mu...
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