Malgorzata Biczysko

Professor

University of Wrocław

Poland

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Professor Malgorzata Biczysko is a faculty member at the University of Wrocław, Poland. Her research focuses on theoretical and computational chemistry, particularly in the areas of anharmonic spectra modeling, density functional theory, and the structural properties of biomolecules. Recent publications include studies on infrared spectroscopy of biomolecular building blocks and the vibrational properties of amino acids.

Articles (10)

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2025

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2024

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2024

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2024

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2023

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2023

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2022

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2022

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2021

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2021

Collaborators (3)

Agnieszka Krzemińska

Assistant Professor

Lodz University of Technology

POLAND

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Cristina Puzzarini

Professore Ordinario

University of Bologna

ITALY

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Michal Hapka

University of Warsaw

POLAND

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Malgorzata Biczysko

Research Interests

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Articles (10)

Reliable Modeling of Anharmonic Spectra Line-Shapes from VPT2 and Hybrid QM Models: IR Spectrum of Uracil as a Test Case

Describing the Disulfide Bond: From the Density Functional Theory and Back through the “Lego Brick” Approach

Anisole–Water and Anisole–Ammonia Complexes in Ground and Excited (S1) States: A Multiconfigurational Symmetry-Adapted Perturbation Theory (SAPT) Study

Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers

Optimal clustering for quantum refinement of biomolecular structures: Q|R#4

Isomerization-induced fluorescence enhancement of two new viologen derivatives: mechanism insight and DFT calculations

A Tribute to Vincenzo Barone

A radical approach to radicals

Structural and Energetic Properties of Amino Acids and Peptides Benchmarked by Accurate Theoretical and Experimental Data

Structural and Vibrational Properties of Amino Acids from Composite Schemes and Double-Hybrid DFT: Hydrogen Bonding in Serine as a Test Case

Collaborators (3)

Agnieszka Krzemińska

Cristina Puzzarini

Michal Hapka

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