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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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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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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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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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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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Overtones of νCN Vibration as a Probe of Structure of Liquid CH3CN, CD3CN, and CCl3CN: Combined Infrared, Near-Infrared, and Raman Spectroscopic Studies with Anharmonic Density Functional Theory Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-05, Vol.123 (20), p.4431-4442

2019

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Interpretation of the Ã ← X[combining tilde] transition of hydrated protons in aqueous solutions observed in the far-UV region with quantum chemical calculations

Physical chemistry chemical physics : PCCP, 2017-08, Vol.19 (32), p.21490-21499

2017

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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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Author Correction: Simulated NIR spectra as sensitive markers of the structure and interactions in nucleobases

Scientific reports, 2020-01, Vol.10 (1), p.902-902, Article 902

2020

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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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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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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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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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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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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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Principles and Applications of Vibrational Spectroscopic Imaging in Plant Science: A Review

Frontiers in plant science, 2020-08, Vol.11, p.1226-1226

2020

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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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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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Simulated NIR spectra as sensitive markers of the structure and interactions in nucleobases

Scientific reports, 2019-11, Vol.9 (1), p.17398-17398, Article 17398

2019

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Near-Infrared Spectroscopy in Bio-Applications

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

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

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

Advances in Near-Infrared Spectroscopy and Related Computational Methods

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

Overtones of νCN Vibration as a Probe of Structure of Liquid CH3CN, CD3CN, and CCl3CN: Combined Infrared, Near-Infrared, and Raman Spectroscopic Studies with Anharmonic Density Functional Theory Calculations

Interpretation of the Ã ← X[combining tilde] transition of hydrated protons in aqueous solutions observed in the far-UV region with quantum chemical calculations

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

Author Correction: Simulated NIR spectra as sensitive markers of the structure and interactions in nucleobases

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

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

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

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

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

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

Principles and Applications of Vibrational Spectroscopic Imaging in Plant Science: A Review

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

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

Simulated NIR spectra as sensitive markers of the structure and interactions in nucleobases

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