Results 231 to 240 of about 104,544 (265)

Monte Carlo simulation of Auger-electron spectra

Applied Radiation and Isotopes, 2009
A 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
openaire   +2 more sources

Methods for Simulating and Interpreting Vibrational Spectra of Molecules

AIP Conference Proceedings, 2009
We review our recent achievements in developing quantum chemistry tools for simulating and interpreting vibrational spectra. These encompass the hyper-Raman scattering technique, the resonance Raman spectroscopy, and the vibrational Raman optical activity spectroscopy. These techniques distinguish from the more usual and widely-spread IR absorption and
Benoi^t Champagne, Julien Guthmuller, Vincent Liégeois, Olivier Quinet, George Maroulis, Theodore E. Simos   +5 more
openaire   +1 more source

Simulation for the Effect of Various Components in the Raman Spectra

Biomedical Engineering, 2010
Raman 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, Hyunho Oh, Jeankun Oh, Bongchu Shim, Yunhee Ku, Moosub Kim, Dami Kim, Hyejin Eum, Seongmoon Cho, David Robert Miller   +9 more
openaire   +1 more source

Monte‐Carlo simulation of copolymer mass spectra

Macromolecular Theory and Simulations, 1993
AbstractA 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.
openaire   +2 more sources

Benchmarking the Computational Costs and Quality of Vibrational Spectra from Ab Initio Simulations

Advanced Theory and Simulations, 2022
Barbara Kirchner, Eva Perlt, Estela Suarez   +2 more
exaly  

Using GEANT4 Monte Carlo simulations to resolve low energy γ-ray spectra: The study of 164Hog+m decay using a broad energy HPGe detector

Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 2021
Michail Axiotis, Anastasios Anastasiadis, Nikolas Patronis   +2 more
exaly  

Exploring dielectric spectra of polymer through molecular dynamics simulations

Molecular Simulation, 2022
Wei Chen, Liang-Yin Chu
exaly  

Simulating the spectra of light sources

Computers in Physics, 1998
N. Sanjay Rebello, Chandima Cumaranatunge, Lawrence T. Escalada, Dean A. Zollman, Denis Donnelly   +4 more
openaire   +1 more source

Infrared spectra simulation

Journal of Chemical Education, 1979
openaire   +1 more source

Simulation of Raman spectra of C

The European Physical Journal D, 2000
T.A. Beu, J. Onoe, K. Takeuchi
openaire   +1 more source