Theoretical study of the effects of hydrogen bonds and interactions with ions on t...
A CCFDF/QTAIM model investigation of fundamental infrared intensity sum rules
Using atomic polar tensors and QCT parameters to train a machine learning model an...
Study of the vibrational and electronic properties of diamondoids
Employment of multipoles from the quantum theory of atoms in molecules and kinetic...
Conformational equilibria and intramolecular interactions for a series of amino-ac...