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
Study of the vibrational and electronic properties of diamondoids
Using atomic polar tensors and QCT parameters to train a machine learning model an...
Employment of multipoles from the quantum theory of atoms in molecules and kinetic...
Conformational equilibria and intramolecular interactions for a series of amino-ac...