Keywords: تئوری مارکوس; Excited radical ions; Femtosecond laser flash photolysis; Marcus theory; Relaxation; Electron transfer; Fluorescence;
مقالات ISI تئوری مارکوس (ترجمه نشده)
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Keywords: تئوری مارکوس; Activation energy; Electrochemical barrier; Electrode potential; Marcus theory; Density functional theory;
Keywords: تئوری مارکوس; Zinc tetraphenylporphyrin; 2-Nitrofluorene; Electron transfer; Marcus theory
Keywords: تئوری مارکوس; Electron transfers; Proteins; Numerical simulations; Tunelling; Marcus theory;
Keywords: تئوری مارکوس; Charge transfer; Photoreaction center; Molecular dynamics; Simulations; Marcus theory; Rps. viridis;
Keywords: تئوری مارکوس; Octaethylporphyrin; 2-Nitrofluorene; Fluorescence quenching; Photoinduced electron transfer; Marcus theory
Keywords: تئوری مارکوس; DFT; Charge transport rate; Push–pull molecule; OPVC; Marcus theory
Keywords: تئوری مارکوس; Theoretical calculation; Hole transfer mobility; Molecular dynamics simulation; Successive conduction model; Amorphous phase; Marcus theory;
On the relation between Marcus theory and ultrafast spectroscopy of solvation kinetics
Keywords: تئوری مارکوس; Marcus theory; Landau-Zener transmission coefficient; AIMD; Classical MD; Solvent exchange; 2DIR;
Solvent effect on the electrochemical oxidation of N,N,Nâ²,Nâ²-tetramethyl-1,4-phenylenediamine. New insights into the correlation of electron transfer kinetics with dynamic solvent effects
Keywords: تئوری مارکوس; N,N,Nâ²,Nâ²-tetramethyl-1,4-phenylenediamine; Dynamic solvent effect; Donor number; Electron transfer rate constant; Marcus theory; Cyclic voltammetry;
Theoretical studies of the free energies of electron transfer and electron transfer kinetics in nanostructure supramolecular complexes of cis-unsaturated thiocrown ethers and Ce and Gd endohedral metallofullerenes [X-UT-Y][M@C82] (MÂ =Â Ce, Gd)
Keywords: تئوری مارکوس; Metallofullerenes; Rehm-Weller equation; Marcus theory; Unsaturated thiocrown ethers; Molecular modeling;
Rational design of bis(4-methoxyphenyl)amine-based molecules with different Ï-bridges as hole-transporting materials for efficient perovskite solar cells
Keywords: تئوری مارکوس; Perovskite solar cell; Hole transport; Density functional theory; Marcus theory; Molecular stability;
Controlling time scales for electron transfer through proteins
Keywords: تئوری مارکوس; Copper proteins; Multicopper oxidases; Azurin; Activation parameters; Marcus theory; Pulse radiolysis
Electron transfer reactions of methionine peptides with photochemically generated ruthenium(III)–polypyridyl complexes
Keywords: تئوری مارکوس; Peptide containing methionine; Ruthenium(III)–polypyridyl complex; Kinetic study; Electron transfer reaction; Marcus theory
Cyclization of acyl radical onto NC bond: Application in the synthesis of β-lactam
Keywords: تئوری مارکوس; β-Lactam; DFT; Marcus theory; Radical cyclization; Regioselectivity;
Electron transfer between multihaem cytochromes c3 from Desulfovibrio africanus
Keywords: تئوری مارکوس; Sulphate-reducing bacterium; Multiheme cytochrome; Electron transfer; 2D NMR exchange spectroscopy; Marcus theory; Diffusion control
DFT study on the intramolecular nitrone-alkene cycloaddition reaction of the N-3-alkenylnitrone
Keywords: تئوری مارکوس; INAC reaction; DFT; Marcus theory; Substituent effect; Regioselectivity;
Resolving the α-effect in gas phase SN2 reactions: A Marcus theory approach
Keywords: تئوری مارکوس; α-Effect; SN2 reaction; Marcus theory
Solvent effects on photosensitized splitting of thymine cyclobutane dimer by an attached phenothiazine
Keywords: تئوری مارکوس; DNA photorepair; Electron transfer; Cyclobutane pyrimidine dimer; Marcus theory; Solvent effect
Water-trapping of unstable carbocations taking place into the inverted region of the Marcus equation. First experimental and computational evidence
Keywords: تئوری مارکوس; Computational chemistry; 1-Norbornyl cations; Water-trapping; DFT; Marcus theory;
A procedure for rapid and highly accurate computation of Marcus–Hush–Chidsey rate constants
Keywords: تئوری مارکوس; Computational electrochemistry; Digital simulation; Marcus theory; Rate constants; Minimax approximation
Theoretical studies on intramolecular methyl transfer in the 2-methoxy-pyridine derivative radical cations
Keywords: تئوری مارکوس; DFT; Intramolecular methyl transfer; Substituent effect; Marcus theory; Radical cation;
Theoretical calculation of the photo-induced electron transfer rate between a gold atom and a gold cation solvated in CCl4
Keywords: تئوری مارکوس; Photo-induced electron transfer; Density functional theory; Marcus theory
Reorganization energy of supramolecular donor–acceptor dyad of octaethylporphyrin isomers and axial-coordinated acceptor: Experimental and computational study
Keywords: تئوری مارکوس; Electron transfer; Reorganization energy; Porphyrin; Porphycene; Hemiporphycene; Marcus theory
Evidence for regulation of Fe(II) oxidation by organic complexing ligands in the Eastern Subarctic Pacific
Keywords: تئوری مارکوس; Fe(II); Fe(II) oxidation; Rate constants; Redox chemistry; Marcus Theory; Organic ligand; Iron
Analysis of S2QA- charge recombination with the Arrhenius, Eyring and Marcus theories
Keywords: تئوری مارکوس; Arrhenius equation; Charge recombination; Eyring theory; Marcus theory; Photosystem II; Q band
Revealing bipolar charge-transport property of 4,4′-N,N′-dicarbazolylbiphenyl (CBP) by quantum chemical calculations
Keywords: تئوری مارکوس; Organic LED; Marcus theory; Charge transfer integral; Reorganization energy; Quantum chemical calculation
Derivation of interpretative models for long range electron transfer from constrained density functional theory
Keywords: تئوری مارکوس; Constrained density functional theory; Electron transfer; Marcus theory; Pathway model;
Molecular factor analysis in self-exchange electron transfer reactions in solution
Keywords: تئوری مارکوس; Multivariate factor analysis; Self-exchange electron transfer reaction; ISM; Marcus theory;
Styrylbenzimidazolium dye–borate complex as an effective, singlet state photoinitiator in an argon laser-induced TMPTA photopolymerization
Keywords: تئوری مارکوس; Dyeing photoinitiators; Radical polymerization; Marcus theory
Guidelines for tunneling in enzymes
Keywords: تئوری مارکوس; Electron tunneling; Hydride transfer; Marcus theory; Protein engineering
Theoretical study on possible usage of difluoromethylene fullerenes as electron-transport materials
Keywords: تئوری مارکوس; Fullerene; Organic semiconductor; Fluoromethylene fullerene; Dipole moment; Marcus theory; Reorganization energy
Charge transport in oligo phenylene and phenylene–thiophene nanofibers
Keywords: تئوری مارکوس; 72.80 Le; 73.40 SxOrganic nanofibers; Mobility; Space-charge limited current; Marcus theory
Fluorescence quenching of 9-cyanoanthracene in presence of zinc tetraphenylporphyrin in a polar liquid medium
Keywords: تئوری مارکوس; 82.50.Hp; 32.50.+d; Fluorescence quenching; Electron transfer; Marcus theory; Radiative energy transfer; Förster's-type energy transfer;
Bimolecular-reaction effect on the rate constant of electron transfer at the oil/water interface as studied by scanning electrochemical microscopy
Keywords: تئوری مارکوس; Electron transfer; ITIES; SECM; Bimolecular-reaction effect; Driving force dependence; Marcus theory
Analyses of donor-acceptor distance-dependent rates of photo-induced electron transfer in flavoproteins with three kinds of electron transfer theories
Keywords: تئوری مارکوس; Iso; isoalloxazine; Trp; tryptophan; Tyr; tyrosine; Bz; benzoate; ET; photo-induced electron transfer; M theory; Marcus theory; BJ theory; Bixon and Jortner theory; KYM theory; Kakitani, Yoshimori and Mataga theory; Photo-induced electron transfer; Flavop
Electron and energy-transfer reactions of Ru(bpy)32+∗/3+ with copper-phenolates
Keywords: تئوری مارکوس; Marcus theory; Electron transfer; EPR; TOPA
Substrate entasis and electronic coupling elements in electron transfer from FeII in a multicopper ferroxidase
Keywords: تئوری مارکوس; Multicopper oxidases; Ferroxidases; Electron transfer; Fet3p; Marcus theory; Entasis;
Studies on an argon laser-induced photopolymerization employing both mono- and bischromophoric hemicyanine dye–borate complex as a photoinitiator
Keywords: تئوری مارکوس; Dyeing photoinitiators; Radical polymerization; Marcus theory
A catalytic approach to estimate the redox potential of heme-peroxidases
Keywords: تئوری مارکوس; Heme-peroxidase; Redox potential; Marcus theory; Biocatalysis; Oxidoreductase; Phenol; Compound II
Does Marcus theory apply to redox processes in ionic liquids? A simulation study
Keywords: تئوری مارکوس; Redox process; Marcus theory; Ionic liquids; Atomistic simulation
Marcus treatment of endergonic reactions: A commentary
Keywords: تئوری مارکوس; Marcus theory; Moser–Dutton treatment; Endergonic reaction; Rate constant
Measurement of rapid electron transfer across a liquid/liquid interface from 7,7,8,8-tetracyanoquinodimethane radical anion in 1,2-dichloroethane to aqueous tris(2,2-bipyridyl)-ruthenium (III)
Keywords: تئوری مارکوس; SECM; Interface between two immiscible electrolyte solutions; Galvani potential; Electron transfer; Marcus theory
Correlation of electron transfer rate in photosynthetic reaction centers with intraprotein dielectric properties
Keywords: تئوری مارکوس; Photosynthetic reaction center; Dielectric permittivity; Photoelectric activity; Rate constant; Marcus theory
Redox free energies and one-electron energy levels in density functional theory based ab initio molecular dynamics
Keywords: تئوری مارکوس; Density functional theory; Molecular dynamics; Marcus theory; Redox potentials; Electronic structure
Iron–sulfur clusters: Why iron?
Keywords: تئوری مارکوس; Iron–sulfur cluster; Reorganization energy; Marcus theory; Electron transfer; Orbital rules
Stoichiometric oxidations of σ-bonds: Radical and possible non-radical pathways
Keywords: تئوری مارکوس; Oxidation; Hydrogen-atom abstraction; Radicals; Osmium tetroxide; Marcus theory
Electron transfer reaction of Cu(II) porphyrin complex: Effect of structural deformation on the electron self-exchange rate
Keywords: تئوری مارکوس; Porphyrins; Copper; Electron transfer; Marcus theory;
Ab initio molecular dynamics simulation of redox reactions in solution
Keywords: تئوری مارکوس; Ab initio molecular dynamics; Redox reactions; Marcus theory;
Optimum energy levels and offsets for organic donor/acceptor binary photovoltaic materials and solar cells
Keywords: تئوری مارکوس; Organic solar cells; Optimal energy offsets; Photoelectric conversion efficiency; Photo induced charge separation; Electron transfer dynamics; Marcus theory;