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Autor publikacji Justyna Grabska
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.
Overview of application of NIR spectroscopy to physical chemistry.
Czarnecki Mirosław A., Beć Krzysztof B., Grabska Justyna, Hofer Thomas S., Ozaki Yukihiro
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.
Advances in anharmonic methods and their applications to vibrational spectroscopies.
Beć Krzysztof B., Grabska Justyna, Ozaki Yukihiro
Electronic spectra of graphene in far- and deep-ultraviolet region : attenuated total reflection spectroscopy and quantum chemical calculation study.
Beć Krzysztof B., Morisawa Yusuke, Kobashi Kenta, Grabska Justyna, Tanabe Ichiro, Ozaki Yukihiro
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
Rydberg transitions as a probe for structural changes and phase transition at polymer surfaces: an ATR-FUV-DUV and quantum chemical study of poly(3-hydroxybutyrate) and its nanocomposite with graphene.
Beć Krzysztof B., Morisawa Yusuke, Kobashi Kenta, Grabska Justyna, Tanabe Ichiro, Tanimura Erika, Sato Harumi, Wójcik Marek Janusz, Ozaki Yukihiro
Spectra-structure correlations in NIR region : spectroscopic and anharmonic DFT study of n-hexanol, cyclohexanol and phenol.
Beć Krzysztof B., Grabska Justyna, Czarnecki Mirosław A.
Correlations between structure and near-infrared spectra of saturated and unsaturated carboxylic acids : insight from anharmonic density functional theory calculations.
Grabska Justyna, Ishigaki Mika, Beć Krzysztof B., Wójcik Marek Janusz, Ozaki Yukihiro
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.
Spectra-structure correlations of saturated and unsaturated medium-chain fatty acids : near-infrared and anharmonic DFT study of hexanoic acid and sorbic acid.
Grabska Justyna, Beć Krzysztof B., Ishigaki Mika, Wójcik Marek Janusz, Ozaki Yukihiro
Spectroscopic and quantum mechanical calculation study of the effect of isotopic substitution on NIR spectra of methanol.
Grabska Justyna, Czarnecki Mirosław A., Beć Krzysztof B., Ozaki Yukihiro
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.
Dielectric functions of iso-propanol and di-iso-propylether in the infrared.
Michniewicz Natalia, Grabska Justyna, Beć Krzysztof B., Hawranek Jerzy P.
Infrared dispersion of liquid di-n-propylether.
Hawranek Jerzy P., Grabska Justyna, Pajdowska Maria, Wrzeszcz Władysław, Beć Krzysztof B.