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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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ATR-far-ultraviolet spectroscopy in the condensed phase—The present status and future perspectives

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2021-05, Vol.253, p.119549, Article 119549

2021

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Spectra-structure correlations in NIR region of polymers from quantum chemical calculations. The cases of aromatic ring, C=O, C≡N and C-Cl functionalities

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2021-12, Vol.262, p.120085, Article 120085

2021

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Current and future research directions in computer-aided near-infrared spectroscopy: A perspective

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2021-06, Vol.254, p.119625, Article 119625

2021

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Spectra-structure correlations in NIR region: Spectroscopic and anharmonic DFT study of n-hexanol, cyclohexanol and phenol

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2018-05, Vol.197, p.176-184

2018

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Theoretical Simulation of Near-Infrared Spectrum of Piperine: Insight into Band Origins and the Features of Regression Models

Applied spectroscopy, 2021-08, Vol.75 (8), p.1022-1032

2021

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State of water in various environments: Aliphatic ketones. MIR/NIR spectroscopic, dielectric and theoretical studies

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2023-12, Vol.302, p.123057, Article 123057

2023

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Vibrational coupling to hydration shell – Mechanism to performance enhancement of qualitative analysis in NIR spectroscopy of carbohydrates in aqueous environment

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2020-08, Vol.237, p.118359, Article 118359

2020

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Handling of uncertainty due to interference fringe in FT-NIR transmittance spectroscopy — Performance comparison of interference elimination techniques using glucose-water system

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2018-05, Vol.197, p.208-215

2018

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Comparative studies of vibrational properties and phase transitions in perovskite‐like frameworks of [(C3H7)4N][M(N(CN)2)3] with MMn, Co, Ni

Journal of Raman spectroscopy, 2019-10, Vol.50 (10), p.1561-1571

2019

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Spectra-structure correlations of saturated and unsaturated medium-chain fatty acids. Near-infrared and anharmonic DFT study of hexanoic acid and sorbic acid

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2017-10, Vol.185, p.35-44

2017

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Electronic Spectra of Graphene in Far- and Deep-Ultraviolet Region: Attenuated Total Reflection Spectroscopy and Quantum Chemical Calculation Study

Journal of physical chemistry. C, 2018-12, Vol.122 (50), p.28998-29008

2018

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Near-Infrared Spectroscopy as a Rapid Screening Method for the Determination of Total Anthocyanin Content in Sambucus Fructus

Sensors (Basel, Switzerland), 2020-09, Vol.20 (17), p.4983

2020

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Rapid discrimination of Curcuma longa and Curcuma xanthorrhiza using Direct Analysis in Real Time Mass Spectrometry and Near Infrared Spectroscopy

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2022-01, Vol.265, p.120347, Article 120347

2022

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Near-IR Spectroscopy and Its Applications

Molecular and Laser Spectroscopy, 2017

2017

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