Datos de investigación
Departamento: Departamento de Química Física
20 datos de investigación referenciados
2026
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Competing Pathways in 2-Butanol Radical Decomposition: A Conformer-Aware Reaction Network and High-Level Kinetics
Zenodo
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Efficient Machine Learning barrier height and reaction enthalpy corrections for low- and mid-level quantum mechanical calculations
Zenodo
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Host-Assisted Guest Self-Assembly: Enhancement of the Dimerization of Pyronines Y and B by γ-Cyclodextrin
SupraBank
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Specific Interactions in the Inclusion Complexes of Pyronines Y and B with β-Cyclodextrin
SupraBank
2025
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A General Method for Constructing and Searching Conformations in Molecular Rings: From Cremer–Pople Coordinates to 3D Geometries
Zenodo
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Autofluorescence of Amyloid-β Oligomers - Corrected Fluorescence Emission Spectra of beta-Amiloid 40
Zenodo
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C2H5O2, C3H6O3 and C3H7O3 chemical reaction networks
Zenodo
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Chemical reaction network for the CH2NS system
Zenodo
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Computational data for the degradation of BPA under Fenton-type conditions
Zenodo
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Reference data for benzene-water clusters
University of Bologna
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Reference data for prolinol-water clusters
University of Bologna
2023
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Glycolonitrile TS27 connecting MIN1 and MIN10 of the CRN
Zenodo
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MD simulation input files and results for ,,Atomistic MD simulations of n-alkanes in a phospholipid bilayer: CHARMM36 versus Slipids"
Zenodo
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Simulation data and code used for the publication in Magn. Reson. "Time-domain proton-detected local-field NMR for molecular structure determination in complex lipid membranes"
Zenodo
2022
2021
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ChemDyME 1.0
Zenodo