R
Rafał Wysokiński
Researcher at Wrocław University of Technology
Publications - 42
Citations - 1440
Rafał Wysokiński is an academic researcher from Wrocław University of Technology. The author has contributed to research in topics: Molecule & Hydrogen bond. The author has an hindex of 18, co-authored 37 publications receiving 1259 citations.
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The prediction of Raman spectra of platinum(II) anticancer drugs by density functional theory
TL;DR: Theoretical calculations of the Raman intensities and the simulated Raman spectra of platinum(II) complexes were presented in this article, where the clear-cut assignment of the Pt-ligand vibrations in the analyzed compounds has been made on the basis of the calculated potential energy distribution.
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The performance of different density functional methods in the calculation of molecular structures and vibrational spectra of platinum(II) antitumor drugs: cisplatin and carboplatin
TL;DR: It is concluded that mPW1PW is the new reliable method, which can be used in predicting molecular structures and vibrational spectra of large coordination compounds containing platinum(II).
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Theoretical Studies of IR and NMR Spectral Changes Induced by Sigma-Hole Hydrogen, Halogen, Chalcogen, Pnicogen, and Tetrel Bonds in a Model Protein Environment
TL;DR: Various types of σ-hole bond complexes were formed with FX, HFY, H2FZ, and H3FT as Lewis acid in order to examine their interactions with a protein, N-methylacetamide (NMA), a model of the peptide linkage was used as the base.
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Electronic structure and vibrational spectra of cis-diammine(orotato)platinum(II), a potential cisplatin analogue: DFT and experimental study
TL;DR: In this paper, the FT-Raman and FT-IR spectra of the title complex are reported, for the first time, the molecular structure, vibrational frequencies, and the theoretical infrared and Raman intensities have been calculated by the density functional mPW1PW91 method.
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Electronic structure, Raman and infrared spectra, and vibrational assignment of carboplatin. Density functional theory studies
TL;DR: Mechanisms enabling link-budget-limited (LBL) devices to more effectively perform random access may include broadcasting a Physical Random Access Channel (PRACH) configuration index (PCI) reserved for LBL devices.