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List of works by Krzysztof B Beć

Advances in Near-Infrared Spectroscopy and Related Computational Methods

scientific article published on 29 November 2019

Breakthrough Potential in Near-Infrared Spectroscopy: Spectra Simulation. A Review of Recent Developments

article

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

scientific article published on 10 April 2019

IR Spectra of Crystalline Nucleobases: Combination of Periodic Harmonic Calculations with Anharmonic Corrections Based on Finite Models

scientific article published on 13 November 2019

Influence of Non-fundamental Modes on Mid-infrared Spectra: Anharmonic DFT Study of Aliphatic Ethers.

scientific article

Investigation of Water Interaction with Polymer Matrices by Near-Infrared (NIR) Spectroscopy

scientific article published in 2022

NIR Spectra Simulations by Anharmonic DFT-Saturated and Unsaturated Long-Chain Fatty Acids

scientific article published on 29 June 2018

Near-Infrared Spectroscopy as a Rapid Screening Method for the Determination of Total Anthocyanin Content in Sambucus Fructus

scientific article published on 02 September 2020

Near-Infrared Spectroscopy in Bio-Applications

scientific article published on 26 June 2020

Overtones of νC≡N Vibration as a Probe of Structure of Liquid CH3CN, CD3CN, and CCl3CN: Combined Infrared, Near-Infrared, and Raman Spectroscopic Studies with Anharmonic Density Functional Theory Calculations

scientific article published on 09 May 2019

Spectra-Structure Correlations in Isotopomers of Ethanol (CX3CX2OX; X = H, D): Combined Near-Infrared and Anharmonic Computational Study

scientific article published on 11 June 2019

Temperature Drift of Conformational Equilibria of Butyl Alcohols Studied by Near-Infrared Spectroscopy and Fully Anharmonic DFT.

scientific article published on 20 February 2017

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