Principles and Applications of Miniaturized Near‐Infrared (NIR) Spectrometers von Beć, Krzysztof B., Grabska, Justyna, Huck, Christian W.

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Temperature Drift of Conformational Equilibria of Butyl Alcohols Studied by Near-Infrared Spectroscopy and Fully Anharmonic DFT von Grabska, Justyna, Beć, Krzysztof B, Ozaki, Yukihiro, Huck, Christian W

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A spectroscopic and theoretical study in the near-infrared region of low concentration aliphatic alcohols von Beć, Krzysztof B, Futami, Yoshisuke, Wójcik, Marek J, Ozaki, Yukihiro

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Critical evaluation of spectral information of benchtop vs. portable near-infrared spectrometers: quantum chemistry and two-dimensional correlation spectroscopy for a better unders... von Kirchler, Christian G, Pezzei, Cornelia K, Beć, Krzysztof B, Mayr, Sophia, Ishigaki, Mika, Ozaki, Yukihiro, Huck, Christian W

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NIR Spectra Simulations by Anharmonic DFT-Saturated and Unsaturated Long-Chain Fatty Acids von Grabska, Justyna, Beć, Krzysztof B, Ishigaki, Mika, Huck, Christian W, Ozaki, Yukihiro

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Near-infrared spectroscopy in quality control of Piper nigrum: A comparison of performance of benchtop and handheld spectrometers von Mayr, Sophia, Beć, Krzysztof B., Grabska, Justyna, Schneckenreiter, Elisabeth, Huck, Christian W.

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Advances, challenges and perspectives of quantum chemical approaches in molecular spectroscopy of the condensed phase von Ozaki, Yukihiro, Be, Krzysztof B, Morisawa, Yusuke, Yamamoto, Shigeki, Tanabe, Ichiro, Huck, Christian W, Hofer, Thomas S

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Correlations between Structure and Near-Infrared Spectra of Saturated and Unsaturated Carboxylic Acids. Insight from Anharmonic Density Functional Theory Calculations von Grabska, Justyna, Ishigaki, Mika, Beć, Krzysztof B, Wójcik, Marek J, Ozaki, Yukihiro

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IR Spectra of Crystalline Nucleobases: Combination of Periodic Harmonic Calculations with Anharmonic Corrections Based on Finite Models von Beć, Krzysztof B, Grabska, Justyna, Czarnecki, Mirosław A, Huck, Christian W, Wójcik, Marek J, Nakajima, Takahito, Ozaki, Yukihiro

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Spectroscopic and Quantum Mechanical Calculation Study of the Effect of Isotopic Substitution on NIR Spectra of Methanol von Grabska, Justyna, Czarnecki, Mirosław A, Beć, Krzysztof B, Ozaki, Yukihiro

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Theae nigrae folium: Comparing the analytical performance of benchtop and handheld near-infrared spectrometers von Mayr, Sophia, Schmelzer, Julia, Kirchler, Christian G., Pezzei, Cornelia K., Beć, Krzysztof B., Grabska, Justyna, Huck, Christian W.

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Influence of Non-fundamental Modes on Mid-infrared Spectra: Anharmonic DFT Study of Aliphatic Ethers von Beć, Krzysztof B, Grabska, Justyna, Ozaki, Yukihiro, Hawranek, Jerzy P, Huck, Christian W

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Principles and Applications of Vibrational Spectroscopic Imaging in Plant Science: A Review von Bec, Krzysztof B., Grabska, Justyna, Bonn, Gunther K., Popp, Michael, Huck, Christian W.

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Spectroscopic and Computational Study of Acetic Acid and Its Cyclic Dimer in the Near-Infrared Region von Beć, Krzysztof B, Futami, Yoshisuke, Wójcik, Marek J, Nakajima, Takahito, Ozaki, Yukihiro

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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... von Grabska, Justyna, Beć, Krzysztof B, Kirchler, Christian G, Ozaki, Yukihiro, Huck, Christian W

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Analyzing the Quality Parameters of Apples by Spectroscopy from Vis/NIR to NIR Region: A Comprehensive Review von Grabska, Justyna, Beć, Krzysztof B, Ueno, Nami, Huck, Christian W

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Challenging handheld NIR spectrometers with moisture analysis in plant matrices: Performance of PLSR vs. GPR vs. ANN modelling von Mayr, Sophia, Beć, Krzysztof B., Grabska, Justyna, Wiedemair, Verena, Pürgy, Verena, Popp, Michael A., Bonn, Günther K., Huck, Christian W.

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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 von Grabska, Justyna, Beć, Krzysztof B., Ishigaki, Mika, Wójcik, Marek J., Ozaki, Yukihiro

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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 von Beć, Krzysztof B., Grabska, Justyna, Kirchler, Christian G., Huck, Christian W.

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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 von Beć, Krzysztof B, Grabska, Justyna, Huck, Christian W, Czarnecki, Mirosław A

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