The POCOBIO Database for Computed Scattering Cross-Sections for Positron Collisions with Biomolecular Systems
J. Franz
Department of Theoretical Physics and Quantum Informatics, Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, G. Narutowicza 11/12, 80-233 Gdańsk, Poland
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The design of a database for positron interactions with biomolecular systems is outlined. The database contains only scattering cross-sections, which are derived from theory. The data model is defined in a very flexible way, which facilitates the usage of weakly bound clusters of molecules and molecular systems with many tautomeric forms.

DOI: 10.12693/APhysPolA.132.1478
topics: positron-molecule scattering, quantum calculations, molecular gases