Spectroscopic Constants and Energetics of Metal-containing Systems. Experiment for the Undergraduate Computational Chemistry Laboratory
(EN)
Bakalbassis, E. G.
(EN)
Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας
(EL)
Bakalbassis, E. G.
(EN)
A new, safe, inexpensive, and successful undergraduate laboratory exercise that incorporates quantum chemistry is proposed based on an improved atom-superposition and electron-delocalization molecular-orbital (ASED-MO) model that is used by the students in predicting the structural, spectroscopic, and energetic properties of highly ionic metal-containing systems.
(EN)
