Krzysztof B. Beć
Krzysztof B. Beć
Centrum für Chemie und Biomedizin (CCB), Universität Innsbruck
Verified email at uibk.ac.at
Title
Cited by
Cited by
Year
Critical evaluation of spectral information of benchtop vs. portable near-infrared spectrometers: Quantum chemistry and two-dimensional correlation spectroscopy for a better …
CG Kirchler, CK Pezzei, KB Beć, S Mayr, M Ishigaki, Y Ozaki, CW Huck
Analyst 142 (3), 455-464, 2017
722017
Breakthrough potential in near-infrared spectroscopy: Spectra simulation. A review of recent developments
KB Beć, CW Huck
Frontiers in chemistry 7, 48, 2019
642019
A spectroscopic and theoretical study in the near-infrared region of low concentration aliphatic alcohols
KB Beć, Y Futami, MJ Wójcik, Y Ozaki
Physical Chemistry Chemical Physics 18 (19), 13666-13682, 2016
532016
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 Wojcik, Y Ozaki
The Journal of Physical Chemistry A 121 (18), 3437-3451, 2017
452017
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
322017
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
302017
Spectroscopic and computational study of acetic acid and its cyclic dimer in the near-infrared region
KB Bec, Y Futami, MJ Wojcik, T Nakajima, Y Ozaki
The Journal of Physical Chemistry A 120 (31), 6170-6183, 2016
302016
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
262018
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
242018
Critical evaluation of NIR and ATR-IR spectroscopic quantifications of rosmarinic acid in rosmarini folium supported by quantum chemical calculations
CG Kirchler, CK Pezzei, KB Beć, R Henn, M Ishigaki, Y Ozaki, CW Huck
Planta medica 83 (12/13), 1076-1084, 2017
212017
Spectroscopic and quantum mechanical calculation study of the effect of isotopic substitution on NIR spectra of methanol
J Grabska, MA Czarnecki, KB Beć, Y Ozaki
The Journal of Physical Chemistry A 121 (41), 7925-7936, 2017
202017
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
192018
Advances in anharmonic methods and their applications to vibrational spectroscopies
KB Beć, J Grabska, Y Ozaki
Frontiers of quantum chemistry, 483-512, 2018
192018
Near infrared spectroscopy and its applications
Y Ozaki, CW Huck, KB Beć
Molecular and Laser Spectroscopy; Gupta, VP, Ed.; Elsevier: Amsterdam, The …, 2017
192017
Handheld near-infrared spectrometers: Where are we heading?
KB Beć, J Grabska, HW Siesler, CW Huck
NIR news 31 (3-4), 28-35, 2020
172020
Influence of non-fundamental modes on mid-infrared spectra: anharmonic DFT study of aliphatic ethers
KB Beć, J Grabska, Y Ozaki, JP Hawranek, CW Huck
The Journal of Physical Chemistry A 121 (7), 1412-1424, 2017
172017
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
162019
Near-IR spectroscopy and its applications
Y Ozaki, CW Huck, KB Beć
Molecular and laser spectroscopy. Advances and applications, 11-38, 2018
162018
Quantum chemical calculations of basic molecules: alcohols and carboxylic acids
KB Beć, MJ Wójcik, T Nakajima
NIR news 27 (8), 15-21, 2016
142016
Optical constants of liquid pyrrole in the infrared
BI Łydżba-Kopczyńska, KB Beć, J Tomczak, JP Hawranek
Journal of Molecular Liquids 172, 34-40, 2012
132012
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Articles 1–20