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Near-Infrared Spectroscopy in Bio-Applications

Molecules (Basel, Switzerland), 2020-06, Vol.25 (12), p.2948

2020

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Biomolecular and bioanalytical applications of infrared spectroscopy – A review

Analytica chimica acta, 2020-10, Vol.1133, p.150-177

2020

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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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NIR spectroscopy of natural medicines supported by novel instrumentation and methods for data analysis and interpretation

Journal of pharmaceutical and biomedical analysis, 2021-01, Vol.193, p.113686-113686, Article 113686

2021

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Investigation of Water Interaction with Polymer Matrices by Near-Infrared (NIR) Spectroscopy

Molecules (Basel, Switzerland), 2022-09, Vol.27 (18), p.5882

2022

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Anharmonic DFT Study of Near-Infrared Spectra of Caffeine: Vibrational Analysis of the Second Overtones and Ternary Combinations

Molecules (Basel, Switzerland), 2021-08, Vol.26 (17), p.5212

2021

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Advances in Near-Infrared Spectroscopy and Related Computational Methods

Molecules (Basel, Switzerland), 2019-11, Vol.24 (23), p.4370

2019

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Principles and Applications of Miniaturized Near‐Infrared (NIR) Spectrometers

Chemistry : a European journal, 2021-01, Vol.27 (5), p.1514-1532

2021

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Temperature Drift of Conformational Equilibria of Butyl Alcohols Studied by Near-Infrared Spectroscopy and Fully Anharmonic DFT

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (9), p.1950-1961

2017

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NIR Spectra Simulations by Anharmonic DFT-Saturated and Unsaturated Long-Chain Fatty Acids

The journal of physical chemistry. B, 2018-07, Vol.122 (27), p.6931-6944

2018

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Correlations between Structure and Near-Infrared Spectra of Saturated and Unsaturated Carboxylic Acids. Insight from Anharmonic Density Functional Theory Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-05, Vol.121 (18), p.3437-3451

2017

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A spectroscopic and theoretical study in the near-infrared region of low concentration aliphatic alcohols

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (19), p.13666-13682

2016

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Spectroscopic and Quantum Mechanical Calculation Study of the Effect of Isotopic Substitution on NIR Spectra of Methanol

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-10, Vol.121 (41), p.7925-7936

2017

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Advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase

Chemical Society reviews, 2021-10, Vol.5 (19), p.1917-1954

2021

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IR Spectra of Crystalline Nucleobases: Combination of Periodic Harmonic Calculations with Anharmonic Corrections Based on Finite Models

The journal of physical chemistry. B, 2019-11, Vol.123 (47), p.10001-10013

2019

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Theae nigrae folium: Comparing the analytical performance of benchtop and handheld near-infrared spectrometers

Talanta (Oxford), 2021-01, Vol.221, p.121165-121165, Article 121165

2021

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Spectroscopic and Computational Study of Acetic Acid and Its Cyclic Dimer in the Near-Infrared Region

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2016-08, Vol.120 (31), p.6170-6183

2016

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Influence of Non-fundamental Modes on Mid-infrared Spectra: Anharmonic DFT Study of Aliphatic Ethers

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-02, Vol.121 (7), p.1412-1424

2017

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Distinct Difference in Sensitivity of NIR vs. IR Bands of Melamine to Inter-Molecular Interactions with Impact on Analytical Spectroscopy Explained by Anharmonic Quantum Mechanical Study

Molecules (Basel, Switzerland), 2019-04, Vol.24 (7), p.1402

2019

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Computational and quantum chemical study on high-frequency dielectric function of tert-butylmethyl ether in mid-infrared and near-infrared regions

Journal of molecular liquids, 2016-12, Vol.224, p.1189-1198

2016

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Anharmonicity and Spectra-Structure Correlations in MIR and NIR Spectra of Crystalline Menadione (Vitamin K 3 )

Molecules (Basel, Switzerland), 2021-11, Vol.26 (22), p.6779

2021

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Spectra-Structure Correlations in Isotopomers of Ethanol (CX 3 CX 2 OX; X = H, D): Combined Near-Infrared and Anharmonic Computational Study

Molecules (Basel, Switzerland), 2019-06, Vol.24 (11), p.2189

2019

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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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NIR spectra simulation of thymol for better understanding of the spectra forming factors, phase and concentration effects and PLS regression features

Journal of molecular liquids, 2018-10, Vol.268, p.895-902

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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Near-Infrared Spectroscopy in Bio-Applications

Biomolecular and bioanalytical applications of infrared spectroscopy – A review

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

NIR spectroscopy of natural medicines supported by novel instrumentation and methods for data analysis and interpretation

Investigation of Water Interaction with Polymer Matrices by Near-Infrared (NIR) Spectroscopy

Anharmonic DFT Study of Near-Infrared Spectra of Caffeine: Vibrational Analysis of the Second Overtones and Ternary Combinations

Advances in Near-Infrared Spectroscopy and Related Computational Methods

Principles and Applications of Miniaturized Near‐Infrared (NIR) Spectrometers

Temperature Drift of Conformational Equilibria of Butyl Alcohols Studied by Near-Infrared Spectroscopy and Fully Anharmonic DFT

NIR Spectra Simulations by Anharmonic DFT-Saturated and Unsaturated Long-Chain Fatty Acids

Correlations between Structure and Near-Infrared Spectra of Saturated and Unsaturated Carboxylic Acids. Insight from Anharmonic Density Functional Theory Calculations

A spectroscopic and theoretical study in the near-infrared region of low concentration aliphatic alcohols

Spectroscopic and Quantum Mechanical Calculation Study of the Effect of Isotopic Substitution on NIR Spectra of Methanol

Advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase

IR Spectra of Crystalline Nucleobases: Combination of Periodic Harmonic Calculations with Anharmonic Corrections Based on Finite Models

Theae nigrae folium: Comparing the analytical performance of benchtop and handheld near-infrared spectrometers

Spectroscopic and Computational Study of Acetic Acid and Its Cyclic Dimer in the Near-Infrared Region

Influence of Non-fundamental Modes on Mid-infrared Spectra: Anharmonic DFT Study of Aliphatic Ethers

Distinct Difference in Sensitivity of NIR vs. IR Bands of Melamine to Inter-Molecular Interactions with Impact on Analytical Spectroscopy Explained by Anharmonic Quantum Mechanical Study

Computational and quantum chemical study on high-frequency dielectric function of tert-butylmethyl ether in mid-infrared and near-infrared regions

Anharmonicity and Spectra-Structure Correlations in MIR and NIR Spectra of Crystalline Menadione (Vitamin K 3 )

Spectra-Structure Correlations in Isotopomers of Ethanol (CX 3 CX 2 OX; X = H, D): Combined Near-Infrared and Anharmonic Computational Study

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

NIR spectra simulation of thymol for better understanding of the spectra forming factors, phase and concentration effects and PLS regression features

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

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