Employment of multipoles from the quantum theory of atoms in molecules and kinetic...
Theoretical studies of electronic and structural properties of molecules, effects ...
Using the Quantum Chemical Topology theory for modeling force fields for peptides ...
Analysis of the substituent effect over C-H covalent character and bonding energy ...
Molecular modelling of atmospheric abundant volatile biogenic compound identified ...
Theoretical study of the interaction between bioactive ligands and TGF-² receptor ...
Using atomic multipoles and developing machine learning models to investigate tran...