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Publications by Malgorzata Biczysko

CC/DFT Route Toward Accurate Structures and Spectroscopic Features for Observed and Elusive Conformers of Flexible Molecules: Pyruvic Acid as a Case Study

Journal of Chemical Theory and Computation
Theoretical ChemistryComputer Science ApplicationsPhysical
2015English

Accurate Geometries for “Mountain Pass” Regions of the Ramachandran Plot Using Quantum Chemical Calculations

Proteins: Structure, Function and Genetics
BiochemistryStructural BiologyMolecular Biology
2018English

Dispersion Corrected DFT Approaches for Anharmonic Vibrational Frequency Calculations: Nucleobases and Their Dimers

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2014English

Environmental and Complexation Effects on the Structures and Spectroscopic Signatures of Organic Pigments Relevant to Cultural Heritage: The Case of Alizarin and Alizarin–Mg(ii)/Al(iii) Complexes

Physical Chemistry Chemical Physics
Theoretical ChemistryAstronomyPhysicsPhysical
2014English

Anharmonic Theoretical Simulations of Infrared Spectra of Halogenated Organic Compounds

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2013English

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