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Autor publikacji Christian W. Huck
Soft confinement of water in aliphatic alcohols: MIR/NIR spectroscopic and DFT studies
Czarnecki Mirosław Antoni, Warchoł Justyna, Orzechowski Kazimierz, Beć Krzysztof B., Huck Christian W.
State of water in various environments: Aliphatic ketones. MIR/NIR spectroscopic, dielectric and theoretical studies
Czarnecki Mirosław Antoni, Beć Krzysztof B., Grabska Justyna, Huck Christian W., Mazurek Sylwester, Orzechowski Kazimierz
Anharmonicity and spectra–structure correlations in MIR and NIR spectra of crystalline menadione (vitamin K3).
Beć Krzysztof B., Grabska Justyna, Huck Christian W., Mazurek Sylwester, Czarnecki Mirosław A.
Effect of conformational isomerism on NIR spectra of ethanol isotopologues. Spectroscopic and anharmonic DFT study.
Beć Krzysztof B., Grabska Justyna, Huck Christian W., Czarnecki Mirosław A.
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
Grabska Justyna, Beć Krzysztof B., Kirchler Christian G., Ozaki Yukihiro, Huck Christian W.
IR spectra of crystalline nucleobases : combination of periodic harmonic calculations with anharmonic corrections based on finite models.
Beć Krzysztof B., Grabska Justyna, Czarnecki Mirosław A., Huck Christian W., Wójcik Marek Janusz, Nakajima Takahito, Ozaki Yukihiro
Simulated NIR spectra as sensitive markers of the structure and interactions in nucleobases.
Beć Krzysztof B., Grabska Justyna, Ozaki Yukihiro, Czarnecki Mirosław A., Huck Christian W.
Spectra–structure correlations in isotopomers of ethanol (CX3CX2OX; X = H, D): combined near-infrared and anharmonic computational study.
Beć Krzysztof B., Grabska Justyna, Huck Christian W., Czarnecki Mirosław A.
Handling of uncertainty due to interference fringe in FT-NIR transmittance spectroscopy : performance comparison of interference elimination techniques using glucose-water system.
Beganović Anel, Beć Krzysztof B., Henn Raphael, Huck Christian W.
Near-IR spectroscopy and its applications.
Ozaki Yukihiro, Huck Christian W., Beć Krzysztof B.
NIR spectra simulation of thymol for better understanding of the spectra forming factors, phase and concentration effects and PLS regression features.
Beć Krzysztof B., Grabska Justyna, Kirchler Christian G., Huck Christian W.
NIR spectra simulations by anharmonic DFT-saturated and unsaturated long-chain fatty acids.
Grabska Justyna, Beć Krzysztof B., Ishigaki Mika, Huck Christian W., Ozaki Yukihiro
Critical evaluation of NIR and ATR-IR spectroscopic quantifications of rosmarinic acid in Rosmarini folium supported by quantum chemical calculations.
Kirchler Christian G., Pezzei Cornelia K., Beć Krzysztof B., Henn Raphael, Ishigaki Mika, Ozaki Yukihiro, Huck Christian W.
Critical evaluation of spectral information of benchtop vs. portable near-infrared spectrometers : quantum chemistry and two-dimensional correlation spectroscopy for a better understanding of PLS regression models of the rosmarinic acid content in Rosmarini folium.
Kirchler Christian G., Pezzei Cornelia K., Beć Krzysztof B., Mayr Sophia, Ishigaki Mika, Ozaki Yukihiro, Huck Christian W.
Influence of non-fundamental modes on mid-infrared spectra : anharmonic DFT study of aliphatic ethers.
Beć Krzysztof B., Grabska Justyna, Ozaki Yukihiro, Hawranek Jerzy P., Huck Christian W.
Temperature drift of conformational equilibria of butyl alcohols studied by near-infrared spectroscopy and fully anharmonic DFT.
Grabska Justyna, Beć Krzysztof B., Ozaki Yukihiro, Huck Christian W.
Computational and quantum chemical study on high-frequency dielectric function of tert-butylmethyl ether in mid-infrared and near-infrared regions.
Beć Krzysztof B., Grabska Justyna E., Huck Christian W., Ozaki Yukihiro, Hawranek Jerzy P.