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Parameterization of metabolite and macromolecule contributions in interrelated MR spectra of human brain using multidimensional modeling

NMR in biomedicine, 2020-09, Vol.33 (9), p.e4328-n/a

2020

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Research on Beam Emission Spectroscopy Combined HL-2A Tokamak Real Experimental Data With Spectra Simulation Code

IEEE transactions on plasma science, 2019-01, Vol.47 (1), p.457-461

2019

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Geometrical effect in the measurement of the CXRS on EAST

Fusion engineering and design, 2019-11, Vol.148, p.111282, Article 111282

2019

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VirtualSpectrum, a tool for simulating peak list for multi-dimensional NMR spectra

Journal of biomolecular NMR, 2014-09, Vol.60 (1), p.51-66

2014

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Simulation of ferromagnetic resonance in a rectangular microstrip

Surface investigation, x-ray, synchrotron and neutron techniques, 2016-03, Vol.10 (2), p.298-301

2016

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Electronic and Magnetic Properties of The Graphene/RE/Ni(111) (RE: La, Yb) Intercalation‐Like Interfaces: A DFT Analysis

Advanced theory and simulations, 2022-06, Vol.5 (6), p.n/a

2022

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HITRAN Application Programming Interface (HAPI): A comprehensive approach to working with spectroscopic data

Journal of quantitative spectroscopy & radiative transfer, 2016-07, Vol.177, p.15-30

2016

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Neural networks in analytical chemistry

Methods in molecular biology (Clifton, N.J.), 2008, Vol.458, p.81

Jalali-Heravi, Mehdi

2008

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Breakthrough Potential in Near-Infrared Spectroscopy: Spectra Simulation. A Review of Recent Developments

Frontiers in chemistry, 2019-02, Vol.7, p.48-48

2019

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In silico NIR spectroscopy – A review. Molecular fingerprint, interpretation of calibration models, understanding of matrix effects and instrumental difference

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2022-10, Vol.279, p.121438, Article 121438

2022

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Simulation of ν2 Raman band of methane as a function of pressure

Journal of Raman spectroscopy, 2022-03, Vol.53 (3), p.654-663

2022

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A simple model to simulate the Raman spectrum of methane in the range of 2800–3040 cm−1

Journal of Raman spectroscopy, 2023-10, Vol.54 (10), p.1150-1159

2023

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Bayesian analysis of 1D 1H-NMR spectra

Journal of magnetic resonance (1997), 2024-07, Vol.364, p.107723, Article 107723

2024

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Theoretical investigation of geometric configurations and vibrational spectra in citric acid complexes

Materials research (São Carlos, São Paulo, Brazil), 2014-06, Vol.17 (3), p.550-556

2014

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Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

Theoretical chemistry accounts, 2012-06, Vol.131 (6), Article 1237

2012

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Epithelial Sodium Channel Inhibition by Amiloride Addressed with THz Spectroscopy and Molecular Modeling

Molecules (Basel, Switzerland), 2022-05, Vol.27 (10), p.3271

2022

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Noise reduction in the spectral domain of hyperspectral images using denoising autoencoder methods

Chemometrics and intelligent laboratory systems, 2020-08, Vol.203, p.104063, Article 104063

2020

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Simulation and quantitative analysis of Raman spectra in chemical processes with autoencoders

Chemometrics and intelligent laboratory systems, 2024-05, Vol.248, p.105119, Article 105119

2024

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Mass spectral fragmentation of trimethylsilylated small molecules

Mass spectrometry reviews, 2018-05, Vol.37 (3), p.245-257

2018

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Is the VCD spectrum a fingerprint of the conformational population? The conformation of perezone in the spotlight

Journal of molecular structure, 2020-02, Vol.1202, p.127273, Article 127273

2020

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Stark broadening measurements in plasmas produced by laser ablation of hydrogen containing compounds

Spectrochimica acta. Part B: Atomic spectroscopy, 2016-08, Vol.122, p.118-126

2016

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Thermal properties of paramagnetic radiation-induced defects in lithium orthosilicate containing breeder material

Journal of nuclear materials, 2022-07, Vol.565, p.153713, Article 153713

2022

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Carbon analysis of large soil samples using the tagged neutron method: Accounting for radiation attenuation

Applied radiation and isotopes, 2024-07, Vol.209, p.111332-111332, Article 111332

2024

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Radiation influence on the plasma atomic kinetics and spectra in experiments on radiative shock waves

Spectrochimica acta. Part B: Atomic spectroscopy, 2023-03, Vol.201, p.106627, Article 106627

2023

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Fast and accurate algorithm for the simulation of NMR spectra of large spin systems

Journal of magnetic resonance (1997), 2011-04, Vol.209 (2), p.123-130

2011

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Parameterization of metabolite and macromolecule contributions in interrelated MR spectra of human brain using multidimensional modeling

Research on Beam Emission Spectroscopy Combined HL-2A Tokamak Real Experimental Data With Spectra Simulation Code

Geometrical effect in the measurement of the CXRS on EAST

VirtualSpectrum, a tool for simulating peak list for multi-dimensional NMR spectra

Simulation of ferromagnetic resonance in a rectangular microstrip

Electronic and Magnetic Properties of The Graphene/RE/Ni(111) (RE: La, Yb) Intercalation‐Like Interfaces: A DFT Analysis

HITRAN Application Programming Interface (HAPI): A comprehensive approach to working with spectroscopic data

Neural networks in analytical chemistry

Breakthrough Potential in Near-Infrared Spectroscopy: Spectra Simulation. A Review of Recent Developments

In silico NIR spectroscopy – A review. Molecular fingerprint, interpretation of calibration models, understanding of matrix effects and instrumental difference

Simulation of ν2 Raman band of methane as a function of pressure

A simple model to simulate the Raman spectrum of methane in the range of 2800–3040 cm−1

Bayesian analysis of 1D 1H-NMR spectra

Theoretical investigation of geometric configurations and vibrational spectra in citric acid complexes

Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran

Epithelial Sodium Channel Inhibition by Amiloride Addressed with THz Spectroscopy and Molecular Modeling

Noise reduction in the spectral domain of hyperspectral images using denoising autoencoder methods

Simulation and quantitative analysis of Raman spectra in chemical processes with autoencoders

Mass spectral fragmentation of trimethylsilylated small molecules

Is the VCD spectrum a fingerprint of the conformational population? The conformation of perezone in the spotlight

Stark broadening measurements in plasmas produced by laser ablation of hydrogen containing compounds

Thermal properties of paramagnetic radiation-induced defects in lithium orthosilicate containing breeder material

Carbon analysis of large soil samples using the tagged neutron method: Accounting for radiation attenuation

Radiation influence on the plasma atomic kinetics and spectra in experiments on radiative shock waves

Fast and accurate algorithm for the simulation of NMR spectra of large spin systems

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