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The application of the Modified Band Approach for the calculation of on-line photodissociation rate constants in TM5: implications for oxidative capacity
Modifi ed Band Approach on-line photodissociation rate
2014/12/11
A flexible and explicit on-line parameterization for the calculation of tropospheric photodissociation rate constants (J -values) has been integrated into the
global Chemistry Transport Model T...
Mutation Rate Constants in DNA Genealogy (Y Chromosome)
Y Chromosome Mutations Haplotypes Haplogroups TMRCA STR SNP
2013/1/31
The basic principles of DNA genealogy and the mutation rate constants for haplotypes of Y chromosome are considered. They are exemplified with 3160 haplotypes, 2489 of those in the 67 marker format, w...
Accurate quantum-mechanical rate constants for a linear response Azzouz-Borgis proton transfer model employing the multilayer multiconfiguration time-dependent Hartree approach
quantum-mechanical linear response Azzouz-Borgia proton transfer model time-dependent Hartree approach
2014/5/28
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method is applied to simulate the quantum dynamics and thermal rate constant of the Azzouz-Borgis model of proton transfer in a pola...
Heterogeneous Electron Transfer Rate Constants of Viologen Monocations at a Platinum Disk Electrode
Viologen monocations experimental rate constant for heterogeneous electron transfer process theoretical rate constant for heterogeneous electron transfer process
2010/4/19
Experimental values of rate constants for the heterogeneous transfer of electrons to methyl viologen, diquat viologen, benzyl viologen and n-butyl viologen monocations were determined. The process was...
Heterogeneous Electron Transfer Rate Constants of Viologen at a Platinum Disk Electrode
Heterogeneous Electron Transfer Rate Constants of Viologen a Platinum Disk Electrode
2010/4/19
The transfer of electrons to the dications of viologens including methyl viologen, diquat, benzyl viologen and n-butyl viologen was studied at the surface of a platinum disk electrode. The rate consta...
Stationary phase evaluations of quantum rate constants
Stationary phase evaluations quantum rate constants
2014/9/24
We compute the quantum rate constant based on two extended stationary phase approximations to the imaginary-time formulation of the quantum rate theory. The optimized stationary phase approximation to...