Ionization and Electron Capture Cross Sections for Single-Electron Removal from Biological Molecules by Swift Ion

Purkait, K.; Samaddar, S.; Jana, Debasis; Purkait, M.

doi:10.1007/s13538-020-00816-0

Cited by 4 publications

(5 citation statements)

References 77 publications

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“…While a good agreement is found with Lüdde et al [20] above 50 keV, the CTMC calculations seem to overestimate the capture cross sections below 50 keV, where both our semiclassical calculations and those of Lüdde et al [10] agree around values of 30 to 40 Å 2 . Results presented by Purkait et al [15] are higher than ours by a factor of 3 or 4 at all energies. [20] and Purkait et al [15] and with the semiclassical results shown in Figure 3.…”

Section: Ctmc Resultscontrasting

confidence: 68%

“…Results presented by Purkait et al [15] are higher than ours by a factor of 3 or 4 at all energies. [20] and Purkait et al [15] and with the semiclassical results shown in Figure 3.…”

Section: Ctmc Resultscontrasting

confidence: 68%

“…Our results for CT using the CTMC method are shown in Figure 9 with solid lines, again separating the contribution of the first 10 MO and the total result with 21 MOs. These results are compared to the calculations of Lüdde et al [20] and Purkait et al [15], and our own orientation-averaged semiclassical results presented in Figure 3. While a good agreement is found with Lüdde et al [20] above 50 keV, the CTMC calculations seem to overestimate the capture cross sections below 50 keV, where both our semiclassical calculations and those of Lüdde et al [10] agree around values of 30 to 40 Å 2 .…”

Section: Ctmc Resultsmentioning

confidence: 55%

“…Cross sections for single charge transfer in proton-uracil collisions as functions of the collision energy. The present CTMC results (21 MO and 10 MO) are compared with those of Lüdde et al[20] and Purkait et al[15] and with the semiclassical results shown in Figure3.…”

mentioning

confidence: 56%

“…There are also some perturbative calculations: continuum distorted wave-eikonal initial state and the first Born approximation with correct boundary conditions were applied by Galassi et al [14]. CT total cross sections have been reported by Purkait et al [15]. Covington et al [16] carried out simulations of the interaction of protons with uracil applying the time-dependent density-functional theory at energies between 15 and 500 keV.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Charge Transfer and Electron Production in Proton Collisions with Uracil: A Classical and Semiclassical Study

Illescas

Méndez

Bernedo

et al. 2023

IJMS

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Cross sections for charge transfer and ionization in proton–uracil collisions are studied, for collision energies 0.05<E<2500 keV, using two computational models. At low energies, below 20 keV, the charge transfer total cross section is calculated employing a semiclassical close-coupling expansion in terms of the electronic functions of the supermolecule (H-uracil)+. At energies above 20 keV, a classical-trajectory Monte Carlo method is employed. The cross sections for charge transfer at low energies have not been previously reported and have high values of the order of 40 Å2, and, at the highest energies of the present calculation, they show good agreement with the previous results. The classical-trajectory Monte Carlo calculation provides a charge transfer and electron production cross section in reasonable agreement with the available experiments. The individual molecular orbital contributions to the total electron production and charge transfer cross sections are analyzed in terms of their energies; this permits the extension of the results to other molecular targets, provided the values of the corresponding orbital energies are known.

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Section: Ctmc Resultscontrasting

confidence: 68%

“…Results presented by Purkait et al [15] are higher than ours by a factor of 3 or 4 at all energies. [20] and Purkait et al [15] and with the semiclassical results shown in Figure 3.…”

Section: Ctmc Resultscontrasting

confidence: 68%

Section: Ctmc Resultsmentioning

confidence: 55%

mentioning

confidence: 56%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Charge Transfer and Electron Production in Proton Collisions with Uracil: A Classical and Semiclassical Study

Illescas

Méndez

Bernedo

et al. 2023

IJMS

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Soret–Dufour impact on a three-dimensional Casson nanofluid flow with dust particles and variable characteristics in a permeable media

Shaheen

Ramzan

Alshehri

et al. 2021

Sci Rep

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In this study, the effects of variable characteristics are analyzed on a three-dimensional (3D) dusty Casson nanofluid flow past a deformable bidirectional surface amalgamated with chemical reaction and Arrhenius activation energy. The surface is deformable in the direction of the x-axis and y-axis. The motion of the flow is induced due to the deformation of the surface. The impression of Soret and Dufour's effects boost the transmission of heat and mass. The flow is analyzed numerically with the combined impacts of thermal radiation, momentum slip, and convective heat condition. A numerical solution for the system of the differential equations is attained by employing the bvp4c function in MATLAB. The dimensionless parameters are graphically illustrated and discussed for the involved profiles. It is perceived that on escalating the Casson fluid and porosity parameters, the velocity field declines for fluid-particle suspension. Also, for augmented activation energy and Soret number, the concentration field enhances. An opposite behavior is noticed in the thermal field for fluctuation in fluid-particle interaction parameters for fluid and dust phase. Drag force coefficient increases on escalating porosity parameter and Hartmann number. On amplifying the radiation parameter heat and mass flux augments. A comparative analysis of the present investigation with an already published work is also added to substantiate the envisioned problem.

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Cross sections for single-electron capture from heliumlike targets by fast heavy nuclei

et al. 2023

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Ionization and Electron Capture Cross Sections for Single-Electron Removal from Biological Molecules by Swift Ion

Cited by 4 publications

References 77 publications

Charge Transfer and Electron Production in Proton Collisions with Uracil: A Classical and Semiclassical Study

Charge Transfer and Electron Production in Proton Collisions with Uracil: A Classical and Semiclassical Study

Soret–Dufour impact on a three-dimensional Casson nanofluid flow with dust particles and variable characteristics in a permeable media

Cross sections for single-electron capture from heliumlike targets by fast heavy nuclei

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