Results 271 to 280 of about 2,681,308 (310)
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Simulation of the infrared spectra of amorphous silicon alloys
Journal of Computational Chemistry, 1996Changes in minority carrier lifetimes in a-Si:H, p-i-n photovoltaic cells due to light soaking have been investigated using the open circuit voltage decay (OCVD) method over the temperature range 223 K to 296 K. Using light from a Xenon flash lamp for excitation produced unexpected results: in the light soaked material, band-to-band transitions were ...
Brian W. Clare +4 more
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Simulation of transient infrared spectra of a photoswitchable peptide
The Journal of Chemical Physics, 2011In transient infrared (IR) experiments, a molecular system may be photoexcited in a nonstationary conformational state, whose time evolution is monitored via IR spectroscopy with high temporal and structural resolution. As a theoretical formulation of these experiments, this work derives explicit expressions for transient one- and two-dimensional IR ...
Kobus, Maja +3 more
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General and efficient simulation of pulse EPR spectra
Physical Chemistry Chemical Physics, 2009We present a rather general and efficient method of simulating electron-spin echo spectra for spin systems where the microwave frequency does not simultaneously excite EPR transitions that share a common level. The approach can handle arbitrary pulse sequences with microwave pulses of arbitrary length and strength.
Stefan, Stoll, R David, Britt
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Efficient Simulation of ESEEM Spectra Using Gamma
Journal of Magnetic Resonance, 1998Using the Gamma class library for C++ it is possible to write very efficient time-domain simulation programs for echo-detected pulse EPR experiments, such as three-pulse ESEEM and HYSCORE. By grouping sections of time-invariant propagators, the initial density operator and the detection operator can be re-defined, and the simulation transforms to that ...
, Shane, , Liesum, , Schweiger
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Simulating the photoelectron spectra of rare-gas clusters
The Journal of Chemical Physics, 2005Motivated by the recent experiments of the Swedish group [M. Tchaplyguine, R. R. Marinho, M. Gisselbrecht et al., J. Chem. Phys. 120, 345 (2004)], we simulate the photoelectron spectra of pure xenon and argon clusters. The clusters are modeled using molecular dynamics with Hartree–Fock-dispersion type pair potentials while the spectrum is calculated as
François G, Amar +2 more
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Monte-Carlo simulation of hot electron spectra
Solid-State Electronics, 1988Abstract The results of Monte-Carlo simulations of hot electron spectrometers are presented. We are able to account for the gross features observed experimentally including the effects of an applied magnetic field. Scattering rates in the highly doped drift region of the spectrometer are calculated from the dielectric function for the dynamically ...
P.H. Beton, A.P. Long, M.J. Kelly
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Monte Carlo simulation of Auger-electron spectra
Applied Radiation and Isotopes, 2009A procedure to calculate the complex spectra of electron-capture nuclides which simultaneously eject several electrons and X-rays with different energies is presented. The model is applied to compute spectra of the radionuclides (125)I, (123)I and (111)In. The spectra are then compared with experimental spectra obtained by means of liquid scintillation
A, Grau Carles, K, Kossert
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Simulation for the Effect of Various Components in the Raman Spectra
Biomedical Engineering, 2010Raman spectra measured in the finger are a combination of backscattered signals induced from incident light. They contain Raman scattering, intrinsic tissue fluorescence and noise. Our goal of this study is to find perturbing components which are able to prohibit an accurate prediction of target materials and propose a new terminology for the SNR of ...
Yongju Yang +9 more
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Monte‐Carlo simulation of copolymer mass spectra
Macromolecular Theory and Simulations, 1993AbstractA computer program, MACO5, was developed which employs the Monte‐Carlo approach to simulate the time‐variation of the mass spectral peak intensities of a copolymer sample during the synthesis of an A/B copolyester via reactive blending of a mixture of homopolyesters A and B or when a copolymer undergoes partial degradation.
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Simulating the spectra of light sources
Computers in Physics, 1998N. Sanjay Rebello +4 more
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