Electrostatic Free Energy and Other Properties of States Having Nonequilibrium Polarization. I
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Biomolecular electrostatics and solvation: a computational perspectiveOn the Theory of OxidationâReduction Reactions Involving Electron Transfer. II. Applications to Data on the Rates of Isotopic Exchange ReactionsData mining with molecular design rules identifies new class of dyes for dye-sensitised solar cells.On the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water.Rigorous treatment of electrostatics for spatially varying dielectrics based on energy minimization.Vertical electronic excitation with a dielectric continuum model of solvation including volume polarization. I. Theory.Primary charge-recombination in an artificial photosynthetic reaction center.Gaussian fluctuations and linear response in an electron transfer protein.Interheme electron tunneling in cytochrome c oxidase.Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: fractional electron approach.Study of the effect of excited state concentration on photodegradation of the p3ht polymer.Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method.The Golden Rule. Application for fun and profit in electron transfer, energy transfer, and excited-state decay.Upgrading Electroresistive Memory from Binary to Ternary Through Single-Atom Substitution in the Molecular Design.Charge carrier mobilities in organic semiconductors: crystal engineering and the importance of molecular contacts.Analyzing Reaction Rates with the Distortion/Interaction-Activation Strain Model.Tuning the Electronic Coupling and Electron Transfer in Mo2 Donor-Acceptor Systems by Variation of the Bridge Conformation.Elementary photoelectronic processes at a porphyrin dye/single-walled TiO2 nanotube hetero-interface in dye-sensitized solar cells: a first-principles study.Density functional tight binding: values of semi-empirical methods in an ab initio era.Classification of the mechanisms of photoinduced electron transfer from aromatic amino acids to the excited flavins in flavoproteins.Control of a chemical reaction (photodegradation of the p3ht polymer) with nonlocal dielectric environments.The axial methionine ligand may control the redox reorganizations in the active site of blue copper proteins.Nonequilibrium solvation energy by means of constrained equilibrium thermodynamics and its application to self-exchange electron transfer reactions.Role of alkali cations for the excited state dynamics of liquid water near the surface.Molecular dynamics calculation of molecular volumes and volumes of activation.Electrochemical reduction of N,N'-thiobisphthalimide and N,N'-dithiobisphthalimide: ejection of diatomic sulfur through an autocatalytic mechanism.Computing induced charges in inhomogeneous dielectric media: application in a Monte Carlo simulation of complex ionic systems.Activated radiationless decay of rhodamine-3B: nonequilibrium polarization effects in viscous solvents.Photoinduced electron transfer and geminate recombination for photoexcited acceptors in a pure donor solvent.A classical but new kinetic equation for hydride transfer reactions.Effects of image charges on double layer structure and forces.Insights into electrocatalysis.A molecularly based theory for electron transfer reorganization energy.Effect of donor orientation on ultrafast intermolecular electron transfer in coumarin-amine systems.Photoinduced electron transfer and geminate recombination in liquids on short time scales: Experiments and theory.Direct observation of the photoinduced electron transfer processes of bis(4-arylphenylamino benzo)-ortho-carborane using transient absorption spectroscopic measurements.Optically probing the localized to delocalized transition in Mo2-Mo2 mixed-valence systems.Kinetics and mechanism of bimolecular electron transfer reaction in quinone-amine systems in micellar solution.Effect of micellar environment on Marcus correlation curves for photoinduced bimolecular electron transfer reactions.Photoinduced electron transfer and geminate recombination in the group head region of micelles.
P2860
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P2860
Electrostatic Free Energy and Other Properties of States Having Nonequilibrium Polarization. I
description
1956 nĂŽ lĹŤn-bĂťn
@nan
1956 ŐŠŐ¸ÖŐĄŐŻŐĄŐśŐŤ ŐŐĄŐľŐŤŐ˝ŐŤŐś Ő°ÖŐĄŐżŐĄÖŐĄŐŻŐ¸ÖŐĄŐŽ ŐŁŐŤŐżŐĄŐŻŐĄŐś ŐľÖ
Ő¤Ő¸ÖŐĄŐŽ
@hyw
1956 ŐŠŐžŐĄŐŻŐĄŐśŐŤ Ő´ŐĄŐľŐŤŐ˝ŐŤŐś Ő°ÖŐĄŐżŐĄÖŐĄŐŻŐžŐĄŐŽ ŐŁŐŤŐżŐĄŐŻŐĄŐś Ő°Ő¸Ő¤ŐžŐĄŐŽ
@hy
1956ĺš´ăŽčŤć
@ja
1956ĺš´čŤć
@yue
1956ĺš´čŤć
@zh-hant
1956ĺš´čŤć
@zh-hk
1956ĺš´čŤć
@zh-mo
1956ĺš´čŤć
@zh-tw
1956嚴莺ć
@wuu
name
Electrostatic Free Energy and ...... Nonequilibrium Polarization. I
@ast
Electrostatic Free Energy and ...... Nonequilibrium Polarization. I
@en
type
label
Electrostatic Free Energy and ...... Nonequilibrium Polarization. I
@ast
Electrostatic Free Energy and ...... Nonequilibrium Polarization. I
@en
prefLabel
Electrostatic Free Energy and ...... Nonequilibrium Polarization. I
@ast
Electrostatic Free Energy and ...... Nonequilibrium Polarization. I
@en
P3181
P356
P1476
Electrostatic Free Energy and ...... Nonequilibrium Polarization. I
@en
P2093
R. A. Marcus
P304
P3181
P356
10.1063/1.1742724
P407
P577
1956-05-01T00:00:00Z