Comparative studies of IR spectra of deprotonated serine with classical and thermostated ring polymer molecular dynamics simulations [PDF]
Structural Dynamics, 2021 Here we report the vibrational spectra of deprotonated serine calculated from the classical molecular dynamics (MD) simulations and thermostated ring-polymer molecular dynamics (TRPMD) simulation with third-order density-functional tight-binding.
V. S. Sandeep Inakollu, Haibo Yu
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Monte Carlo Simulations of ED-XRF Spectra as an Authentication Tool for Nuragic Bronzes
Heritage, 2021 The high artistic and cultural relevance of particular objects, in this case from the Nuragic civilization, have stimulated the growth of a forgery industry, replicating small bronze boats (navicelle), statues (bronzetti), and other objects.
Carlo Nocco +2 more
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NEXAFS Spectra Simulations of Nitrogen-Bearing Heterocycles [PDF]
ACS OmegaRicardo R. Oliveira +2 more
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Measurement of leakage neutron spectra with D-T neutrons and evaluated nuclear data [PDF]
EPJ Web of Conferences, 2020 Benchmarking of evaluated neutron nuclear data libraries was performed for ∼14.8 MeV neutrons on the several targets, such as gallium, graphite, silicon carbide, uranium and tungsten samples.
Han Rui +8 more
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Theoretical investigation of geometric configurations and vibrational spectra in citric acid complexes [PDF]
Materials Research, 2014 The performance of advanced electronic ceramics is directly related to the synthesis route employed. Sol-gel methods are widely used for this purpose. However, the physicochemical intermediate steps are still not well understood. Better understanding and
Rodrigo Marques Ferreira +5 more
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Evaluating Snow Microwave Radiative Transfer (SMRT) model emissivities with 89 to 243 GHz observations of Arctic tundra snow [PDF]
The Cryosphere, 2023 Improved modelling of snow emissivity is needed to improve the assimilation of surface-sensitive atmospheric sounding observations from satellites in polar regions for numerical weather prediction (NWP). This paper evaluates emissivity simulated with the
K. Wivell +5 more
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Self-consistent 3D Radiative Transfer for Kilonovae: Directional Spectra from Merger Simulations
The Astrophysical Journal Letters, 2023 We present 3D radiative transfer calculations for the ejecta from a neutron star merger that include line-by-line opacities for tens of millions of bound–bound transitions, composition from an r -process nuclear network, and time-dependent thermalization
Luke J. Shingles +9 more
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Testing of almost all the hadronic interaction models by comparing calculated muon energy spectrum with data [PDF]
EPJ Web of Conferences, 2019 Uncertainties of the model energy spectra of the most energetic secondary charged mesons are discussed. Computer simulations of the partial energy spectra of the atmospheric vertical muons induced by primary cosmic particles with various fixed energies ...
Dedenko L. G. +3 more
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Recurrence Spectra of European Temperature in Historical Climate Simulations
Atmosphere, 2019 We analyse and quantify the recurrences of European temperature extremes using 32 historical simulations (1900–1999) of the fifth Coupled Model Intercomparison Project (CMIP5) and 8 historical simulations (1971–2005) from the EUROCORDEX ...
M. Carmen Alvarez-Castro +3 more
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The CAMELS Project: Public Data Release
The Astrophysical Journal Supplement Series, 2023 The Cosmology and Astrophysics with Machine Learning Simulations (CAMELS) project was developed to combine cosmology with astrophysics through thousands of cosmological hydrodynamic simulations and machine learning.
Francisco Villaescusa-Navarro +47 more
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