Malgorzata Biczysko

17PUBLICATIONS
27CO-AUTHORS
Molecular imaging (incl. electron microscopy and neutron diffraction)Computational chemistryTheoretical quantum chemistryColloid and surface chemistryNonlinear optics and spectroscopy
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Publications (17)

|Aug 20, 2026
Spectroscopic Features of Weak Intermolecular Interactions: IR Spectrum of the Formamide-Water Complex Revisited.

|Oct 17, 2025
AQuaRef: machine learning accelerated quantum refinement of protein structures.

Roman Zubatyuk, Malgorzata Biczysko, Kavindri Ranasinghe

|Jun 25, 2025
Reliable Modeling of Anharmonic Spectra Line-Shapes from VPT2 and Hybrid QM Models: IR Spectrum of Uracil as a Test Case.

Ruiqin Xu, Qin Yang, Julien Bloino

|Oct 18, 2024
Describing the Disulfide Bond: From the Density Functional Theory and Back through the "Lego Brick" Approach.

Silvia Alessandrini, Hexu Ye, Malgorzata Biczysko

|Oct 01, 2024
Anisole-Water and Anisole-Ammonia Complexes in Ground and Excited (S1) States: A Multiconfigurational Symmetry-Adapted Perturbation Theory (SAPT) Study.

Agnieszka Krzemińska, Malgorzata Biczysko, Katarzyna Pernal

|Apr 29, 2024
Harmonic and anharmonic vibrational computations for biomolecular building blocks: Benchmarking DFT and basis sets by theoretical and experimental IR spectrum of glycine conformers.

Ruiqin Xu, Zhongming Jiang, Qin Yang

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Frequent Collaborators

5 joint publications

Nigel W Moriarty

4 joint publications

Cristina Puzzarini

2 joint publications

Silvia Alessandrini

2 joint publications

Qin Yang