Sylwia Pawledzio Contact PAWLEDZIOS@ORNL.GOV All Publications Crystal structure and polymorphic forms of auranofin revisited... Understanding the selectivity of nonsteroidal anti-inflammatory drugs for cyclooxygenases using quantum crystallography and electrostatic interaction energy Discovery of a layered multiferroic compound Cu1−xMn1+ySiTe3 with strong magnetoelectric coupling Integrated edge-to-exascale workflow for real-time steering in neutron scattering experiments Transferable Hirshfeld atom model for rapid evaluation of aspherical atomic form factors Influence of N-protonation on electronic properties of acridine derivatives by quantum crystallography... Crystal Engineering of Hydrogen Bonding for Direct Air Capture of CO2: A Quantum Crystallography Perspective The Structural Characterisation and DFT-Aided Interpretation of Vibrational Spectra for Cyclo(l-Cys-d-Cys) Cyclic Dipeptide i... Key Links Curriculum Vitae
