| Near-infrared spectroscopy in bio-applications KB Beć, J Grabska, CW Huck Molecules 25 (12), 2948, 2020 | 199 | 2020 |
| Principles and applications of miniaturized near‐infrared (NIR) spectrometers KB Beć, J Grabska, CW Huck Chemistry–A European Journal 27 (5), 1514-1532, 2021 | 191 | 2021 |
| Biomolecular and bioanalytical applications of infrared spectroscopy–A review KB Beć, J Grabska, CW Huck Analytica chimica acta 1133, 150-177, 2020 | 124 | 2020 |
| Handheld near-infrared spectrometers: Where are we heading? KB Beć, J Grabska, HW Siesler, CW Huck NIR news 31 (3-4), 28-35, 2020 | 105 | 2020 |
| Correlations between structure and near-infrared spectra of saturated and unsaturated carboxylic acids. Insight from anharmonic density functional theory calculations J Grabska, M Ishigaki, KB Bec, MJ Wójcik, Y Ozaki The Journal of Physical Chemistry A 121 (18), 3437-3451, 2017 | 69 | 2017 |
| NIR spectroscopy of natural medicines supported by novel instrumentation and methods for data analysis and interpretation KB Beć, J Grabska, CW Huck Journal of Pharmaceutical and Biomedical Analysis 193, 113686, 2021 | 58 | 2021 |
| Miniaturized NIR spectroscopy in food analysis and quality control: Promises, challenges, and perspectives KB Beć, J Grabska, CW Huck Foods 11 (10), 1465, 2022 | 54 | 2022 |
| NIR spectra simulation of thymol for better understanding of the spectra forming factors, phase and concentration effects and PLS regression features KB Beć, J Grabska, CG Kirchler, CW Huck Journal of Molecular Liquids 268, 895-902, 2018 | 49 | 2018 |
| Temperature drift of conformational equilibria of butyl alcohols studied by near-infrared spectroscopy and fully anharmonic DFT J Grabska, KB Beć, Y Ozaki, CW Huck The Journal of Physical Chemistry A 121 (9), 1950-1961, 2017 | 49 | 2017 |
| Distinct difference in sensitivity of NIR vs. IR bands of melamine to inter-molecular interactions with impact on analytical spectroscopy explained by anharmonic quantum … J Grabska, KB Beć, CG Kirchler, Y Ozaki, CW Huck Molecules 24 (7), 1402, 2019 | 45 | 2019 |
| NIR spectra simulations by anharmonic DFT-saturated and unsaturated long-chain fatty acids J Grabska, KB Beć, M Ishigaki, CW Huck, Y Ozaki The Journal of Physical Chemistry B 122 (27), 6931-6944, 2018 | 45 | 2018 |
| Principles and applications of vibrational spectroscopic imaging in plant science: a review KB Beć, J Grabska, GK Bonn, M Popp, CW Huck Frontiers in Plant Science 11, 1226, 2020 | 44 | 2020 |
| Spectra-structure correlations of saturated and unsaturated medium-chain fatty acids. Near-infrared and anharmonic DFT study of hexanoic acid and sorbic acid J Grabska, KB Beć, M Ishigaki, MJ Wójcik, Y Ozaki Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 185, 35-44, 2017 | 43 | 2017 |
| Theae nigrae folium: Comparing the analytical performance of benchtop and handheld near-infrared spectrometers S Mayr, J Schmelzer, CG Kirchler, CK Pezzei, KB Beć, J Grabska, ... Talanta 221, 121165, 2021 | 40 | 2021 |
| Near-infrared spectroscopy in quality control of Piper nigrum: A Comparison of performance of benchtop and handheld spectrometers S Mayr, KB Beć, J Grabska, E Schneckenreiter, CW Huck Talanta 223, 121809, 2021 | 37 | 2021 |
| Near-infrared spectroscopy as a rapid screening method for the determination of total anthocyanin content in Sambucus fructus S Stuppner, S Mayr, A Beganovic, K Beć, J Grabska, U Aufschnaiter, ... Sensors 20 (17), 4983, 2020 | 35 | 2020 |
| Spectra-structure correlations in NIR region: spectroscopic and anharmonic DFT study of n-hexanol, cyclohexanol and phenol KB Beć, J Grabska, MA Czarnecki Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 197, 176-184, 2018 | 35 | 2018 |
| Spectroscopic and quantum mechanical calculation study of the effect of isotopic substitution on NIR spectra of methanol J Grabska, MA Czarnecki, KB Bec, Y Ozaki The Journal of Physical Chemistry A 121 (41), 7925-7936, 2017 | 33 | 2017 |
| Challenging handheld NIR spectrometers with moisture analysis in plant matrices: Performance of PLSR vs. GPR vs. ANN modelling S Mayr, KB Beć, J Grabska, V Wiedemair, V Pürgy, MA Popp, GK Bonn, ... Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 249, 119342, 2021 | 31 | 2021 |
| Advances in anharmonic methods and their applications to vibrational spectroscopies KB Beć, J Grabska, Y Ozaki Frontiers of quantum chemistry, 483-512, 2018 | 31 | 2018 |
Krzysztof B. BećCentrum für Chemie und Biomedizin (CCB), Universität InnsbruckPotvrđena adresa e-pošte na uibk.ac.at
